(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol

C21H29NO2 — CID 124743198

IUPAC(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol
SMILESCOc1ccc([C@H](C)CN[C@@H](c2ccccc2)C(C)(C)CO)cc1
InChIInChI=1S/C21H29NO2/c1-16(17-10-12-19(24-4)13-11-17)14-22-20(21(2,3)15-23)18-8-6-5-7-9-18/h5-13,16,20,22-23H,14-15H2,1-4H3/t16-,20+/m1/s1
InChIKeyYQOODWXTJVWMFQ-UZLBHIALSA-N
MW327.47 g/mol
LogP4.15
Rot. Bonds8

About (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol

(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol (PubChem CID 124743198) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol
PubChem CID124743198
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol
SMILESCOc1ccc([C@H](C)CN[C@@H](c2ccccc2)C(C)(C)CO)cc1
InChIInChI=1S/C21H29NO2/c1-16(17-10-12-19(24-4)13-11-17)14-22-20(21(2,3)15-23)18-8-6-5-7-9-18/h5-13,16,20,22-23H,14-15H2,1-4H3/t16-,20+/m1/s1
InChIKeyYQOODWXTJVWMFQ-UZLBHIALSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-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)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
CID 43147178
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
CID 110010974
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
4-[2-(4-methoxyphenyl)propylamino]-2,2-dimethylbutanoic acid
CID 122127156
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
2-[1-(4-methoxyphenyl)propylamino]-N-(2-phenylpropyl)propanamide
CID 112798795

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol?
The IUPAC name of (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol (CID 124743198) is (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol.
What is the SMILES notation for (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol?
The canonical SMILES for (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol is COc1ccc([C@H](C)CN[C@@H](c2ccccc2)C(C)(C)CO)cc1.
What is the InChIKey of (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol?
The InChIKey is YQOODWXTJVWMFQ-UZLBHIALSA-N. The full InChI is InChI=1S/C21H29NO2/c1-16(17-10-12-19(24-4)13-11-17)14-22-20(21(2,3)15-23)18-8-6-5-7-9-18/h5-13,16,20,22-23H,14-15H2,1-4H3/t16-,20+/m1/s1.
What are the key properties of (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol?
(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol has a molecular weight of 327.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol is sourced from PubChem (CID 124743198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).