1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol

C17H20ClNO — CID 62315005

IUPAC1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
SMILESCc1cccc(CCNCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO/c1-13-5-4-6-14(11-13)9-10-19-12-17(20)15-7-2-3-8-16(15)18/h2-8,11,17,19-20H,9-10,12H2,1H3
InChIKeyTUKRRABCZJPDNA-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.51
Rot. Bonds6

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

1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol (PubChem CID 62315005) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
PubChem CID62315005
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
SMILESCc1cccc(CCNCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO/c1-13-5-4-6-14(11-13)9-10-19-12-17(20)15-7-2-3-8-16(15)18/h2-8,11,17,19-20H,9-10,12H2,1H3
InChIKeyTUKRRABCZJPDNA-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21406688
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 54937792
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111448950
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol (CID 62315005) is 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol is Cc1cccc(CCNCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
The InChIKey is TUKRRABCZJPDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-5-4-6-14(11-13)9-10-19-12-17(20)15-7-2-3-8-16(15)18/h2-8,11,17,19-20H,9-10,12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol?
1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol is sourced from PubChem (CID 62315005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).