(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C24H31FN2O4 — CID 7296193

IUPAC(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCCN(Cc1cccn1Cc1ccccc1F)C[C@H](O)COCc1ccco1
InChIInChI=1S/C24H31FN2O4/c1-29-13-6-11-26(17-22(28)18-30-19-23-9-5-14-31-23)16-21-8-4-12-27(21)15-20-7-2-3-10-24(20)25/h2-5,7-10,12,14,22,28H,6,11,13,15-19H2,1H3/t22-/m0/s1
InChIKeyBKNIIOPNMNWCIN-QFIPXVFZSA-N
MW430.52 g/mol
LogP3.68
Rot. Bonds14

About (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 7296193) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID7296193
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Name(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCCN(Cc1cccn1Cc1ccccc1F)C[C@H](O)COCc1ccco1
InChIInChI=1S/C24H31FN2O4/c1-29-13-6-11-26(17-22(28)18-30-19-23-9-5-14-31-23)16-21-8-4-12-27(21)15-20-7-2-3-10-24(20)25/h2-5,7-10,12,14,22,28H,6,11,13,15-19H2,1H3/t22-/m0/s1
InChIKeyBKNIIOPNMNWCIN-QFIPXVFZSA-N
XLogP3.68
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7202218
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-methoxypropan-2-ol
CID 42794797
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 24715644
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161562
1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713876
(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol
CID 7249283
(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164298
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 7296193) is (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is COCCCN(Cc1cccn1Cc1ccccc1F)C[C@H](O)COCc1ccco1.
What is the InChIKey of (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is BKNIIOPNMNWCIN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-29-13-6-11-26(17-22(28)18-30-19-23-9-5-14-31-23)16-21-8-4-12-27(21)15-20-7-2-3-10-24(20)25/h2-5,7-10,12,14,22,28H,6,11,13,15-19H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 430.52 g/mol, XLogP of 3.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 7296193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).