(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol

C21H29NO3 — CID 54523687

IUPAC(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
SMILESCCC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@H](O)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-4-8-18(22-15-19(23)17-9-6-5-7-10-17)13-16-11-12-20(24-2)21(14-16)25-3/h5-7,9-12,14,18-19,22-23H,4,8,13,15H2,1-3H3/t18-,19+/m1/s1
InChIKeyYRPSFSCKHOQPQE-MOPGFXCFSA-N
MW343.47 g/mol
LogP3.74
Rot. Bonds10

About (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol

(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol (PubChem CID 54523687) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
PubChem CID54523687
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
SMILESCCC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@H](O)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-4-8-18(22-15-19(23)17-9-6-5-7-10-17)13-16-11-12-20(24-2)21(14-16)25-3/h5-7,9-12,14,18-19,22-23H,4,8,13,15H2,1-3H3/t18-,19+/m1/s1
InChIKeyYRPSFSCKHOQPQE-MOPGFXCFSA-N
XLogP3.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol 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

2-[1-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-phenylethanol
CID 18628046
(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)butan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 54334497
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
2-[[4-(2-hydroxy-2-phenylethoxy)-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 2987379

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol (CID 54523687) is (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol is CCC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol?
The InChIKey is YRPSFSCKHOQPQE-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-8-18(22-15-19(23)17-9-6-5-7-10-17)13-16-11-12-20(24-2)21(14-16)25-3/h5-7,9-12,14,18-19,22-23H,4,8,13,15H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol?
(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol has a molecular weight of 343.47 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol is sourced from PubChem (CID 54523687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).