2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol

C17H20ClNO2 — CID 81356620

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(13-3-7-15(18)8-4-13)19-11-17(20)14-5-9-16(21-2)10-6-14/h3-10,12,17,19-20H,11H2,1-2H3/t12-,17?/m1/s1
InChIKeyWTGQRKKZFOFIIJ-MTATWXBHSA-N
MW305.81 g/mol
LogP3.73
Rot. Bonds6

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 81356620) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
PubChem CID81356620
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(13-3-7-15(18)8-4-13)19-11-17(20)14-5-9-16(21-2)10-6-14/h3-10,12,17,19-20H,11H2,1-2H3/t12-,17?/m1/s1
InChIKeyWTGQRKKZFOFIIJ-MTATWXBHSA-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

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Related Compounds

1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21151838
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol (CID 81356620) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CN[C@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is WTGQRKKZFOFIIJ-MTATWXBHSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(13-3-7-15(18)8-4-13)19-11-17(20)14-5-9-16(21-2)10-6-14/h3-10,12,17,19-20H,11H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)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 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 81356620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).