(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol

C21H26N2O3 — CID 93161997

IUPAC(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCn1cccc1CN(Cc1ccco1)C[C@H](O)COCc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-22-11-5-9-19(22)13-23(15-21-10-6-12-26-21)14-20(24)17-25-16-18-7-3-2-4-8-18/h2-12,20,24H,13-17H2,1H3/t20-/m0/s1
InChIKeyPXNCRHUQBOYONA-FQEVSTJZSA-N
MW354.45 g/mol
LogP3.20
Rot. Bonds10

About (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol

(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93161997) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID93161997
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCn1cccc1CN(Cc1ccco1)C[C@H](O)COCc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-22-11-5-9-19(22)13-23(15-21-10-6-12-26-21)14-20(24)17-25-16-18-7-3-2-4-8-18/h2-12,20,24H,13-17H2,1H3/t20-/m0/s1
InChIKeyPXNCRHUQBOYONA-FQEVSTJZSA-N
XLogP3.20
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713995
1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 24715644
1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 42837034
(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 129421000
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93164886
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7202218
1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713252
2-[[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 7872390
(2S)-1-[furan-2-ylmethyl-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93182158
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 93161997) is (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol is Cn1cccc1CN(Cc1ccco1)C[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is PXNCRHUQBOYONA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22-11-5-9-19(22)13-23(15-21-10-6-12-26-21)14-20(24)17-25-16-18-7-3-2-4-8-18/h2-12,20,24H,13-17H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 354.45 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93161997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).