1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol

C17H20ClNO2 — CID 81355347

IUPAC1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
SMILESCOc1cccc([C@H](C)NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-12(13-6-5-7-14(10-13)21-2)19-11-17(20)15-8-3-4-9-16(15)18/h3-10,12,17,19-20H,11H2,1-2H3/t12-,17?/m0/s1
InChIKeyYZAPJOSUTJGHLF-WHUIICBVSA-N
MW305.81 g/mol
LogP3.73
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol

1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol (PubChem CID 81355347) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
PubChem CID81355347
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
SMILESCOc1cccc([C@H](C)NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-12(13-6-5-7-14(10-13)21-2)19-11-17(20)15-8-3-4-9-16(15)18/h3-10,12,17,19-20H,11H2,1-2H3/t12-,17?/m0/s1
InChIKeyYZAPJOSUTJGHLF-WHUIICBVSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol with MolForge

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Related Compounds

2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
CID 60970927
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol (CID 81355347) is 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol is COc1cccc([C@H](C)NCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol?
The InChIKey is YZAPJOSUTJGHLF-WHUIICBVSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(13-6-5-7-14(10-13)21-2)19-11-17(20)15-8-3-4-9-16(15)18/h3-10,12,17,19-20H,11H2,1-2H3/t12-,17?/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol?
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol has a molecular weight of 305.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81355347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).