2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

C17H20ClNO2 — CID 78966129

IUPAC2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(13-6-8-15(18)9-7-13)19-11-17(20)14-4-3-5-16(10-14)21-2/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyWHKISCVFTCKNAA-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.73
Rot. Bonds6

About 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 78966129) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID78966129
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(13-6-8-15(18)9-7-13)19-11-17(20)14-4-3-5-16(10-14)21-2/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyWHKISCVFTCKNAA-UHFFFAOYSA-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-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
(1S)-1-(3-methoxyphenyl)-2-[[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]amino]ethanol
CID 98851139
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (CID 78966129) is 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is WHKISCVFTCKNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(13-6-8-15(18)9-7-13)19-11-17(20)14-4-3-5-16(10-14)21-2/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
2-[1-(4-chlorophenyl)ethylamino]-1-(3-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-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 78966129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).