(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C19H26FNO4 — CID 93160750

IUPAC(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCCN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1
InChIInChI=1S/C19H26FNO4/c1-23-10-3-9-21(12-16-5-7-17(20)8-6-16)13-18(22)14-24-15-19-4-2-11-25-19/h2,4-8,11,18,22H,3,9-10,12-15H2,1H3/t18-/m0/s1
InChIKeyVDLHVUYKXRXITE-SFHVURJKSA-N
MW351.42 g/mol
LogP2.83
Rot. Bonds12

About (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93160750) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID93160750
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCCN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1
InChIInChI=1S/C19H26FNO4/c1-23-10-3-9-21(12-16-5-7-17(20)8-6-16)13-18(22)14-24-15-19-4-2-11-25-19/h2,4-8,11,18,22H,3,9-10,12-15H2,1H3/t18-/m0/s1
InChIKeyVDLHVUYKXRXITE-SFHVURJKSA-N
XLogP2.83
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164009
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007562
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
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
(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164737
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7202218
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 24713597
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7296193

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93160750) is (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is COCCCN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1.
What is the InChIKey of (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is VDLHVUYKXRXITE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-23-10-3-9-21(12-16-5-7-17(20)8-6-16)13-18(22)14-24-15-19-4-2-11-25-19/h2,4-8,11,18,22H,3,9-10,12-15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 351.42 g/mol, XLogP of 2.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93160750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).