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

C17H20ClNO — CID 23322163

IUPAC1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
SMILESCc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-13-5-7-14(8-6-13)9-10-19-12-17(20)15-3-2-4-16(18)11-15/h2-8,11,17,19-20H,9-10,12H2,1H3
InChIKeyIJQUQCIWTMOYHQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.51
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol (PubChem CID 23322163) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
PubChem CID23322163
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
SMILESCc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-13-5-7-14(8-6-13)9-10-19-12-17(20)15-3-2-4-16(18)11-15/h2-8,11,17,19-20H,9-10,12H2,1H3
InChIKeyIJQUQCIWTMOYHQ-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

4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
CID 23322179
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-fluorobenzoic acid
CID 24823130
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]benzoic acid
CID 24824228
1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol
CID 139692021
ethyl 2-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]methyl]benzoate
CID 14368687
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 69102599
4-[2-chloro-4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]benzoic acid;hydrochloride
CID 24823934

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol (CID 23322163) is 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol is Cc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol?
The InChIKey is IJQUQCIWTMOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-5-7-14(8-6-13)9-10-19-12-17(20)15-3-2-4-16(18)11-15/h2-8,11,17,19-20H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(4-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-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol is sourced from PubChem (CID 23322163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).