(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol

C15H17ClN2O3 — CID 97221871

IUPAC(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CNc2ccncc2Cl)cc1OC
InChIInChI=1S/C15H17ClN2O3/c1-20-14-4-3-10(7-15(14)21-2)13(19)9-18-12-5-6-17-8-11(12)16/h3-8,13,19H,9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyOGQVLVUAMJWRGX-ZDUSSCGKSA-N
MW308.77 g/mol
LogP2.90
Rot. Bonds6

About (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol

(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 97221871) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID97221871
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CNc2ccncc2Cl)cc1OC
InChIInChI=1S/C15H17ClN2O3/c1-20-14-4-3-10(7-15(14)21-2)13(19)9-18-12-5-6-17-8-11(12)16/h3-8,13,19H,9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyOGQVLVUAMJWRGX-ZDUSSCGKSA-N
XLogP2.90
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol 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-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
CID 133351741
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol
CID 84591027
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol (CID 97221871) is (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc([C@@H](O)CNc2ccncc2Cl)cc1OC.
What is the InChIKey of (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is OGQVLVUAMJWRGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-20-14-4-3-10(7-15(14)21-2)13(19)9-18-12-5-6-17-8-11(12)16/h3-8,13,19H,9H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol?
(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 308.77 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 97221871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).