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

C23H24ClNO — CID 14368692

IUPAC2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
SMILESOC(CNCCc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H24ClNO/c24-22-8-4-7-21(16-22)23(26)17-25-14-13-18-9-11-20(12-10-18)15-19-5-2-1-3-6-19/h1-12,16,23,25-26H,13-15,17H2
InChIKeyNJYNDOGQFJCXHD-UHFFFAOYSA-N
MW365.90 g/mol
LogP4.80
Rot. Bonds8

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

2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol (PubChem CID 14368692) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
PubChem CID14368692
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
SMILESOC(CNCCc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H24ClNO/c24-22-8-4-7-21(16-22)23(26)17-25-14-13-18-9-11-20(12-10-18)15-19-5-2-1-3-6-19/h1-12,16,23,25-26H,13-15,17H2
InChIKeyNJYNDOGQFJCXHD-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 54.80
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-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]benzoic acid
CID 24824228
ethyl 2-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]methyl]benzoate
CID 14368687
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-fluorobenzoic acid
CID 24823130
2-[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]benzoyl]phenoxy]acetic acid
CID 24824227
5-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonyl-2-(methylamino)benzoic acid
CID 10458239
2-[4-[4-[2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfanylphenoxy]acetic acid;hydrochloride
CID 69057588
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 69102599
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol (CID 14368692) is 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol is OC(CNCCc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
The InChIKey is NJYNDOGQFJCXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c24-22-8-4-7-21(16-22)23(26)17-25-14-13-18-9-11-20(12-10-18)15-19-5-2-1-3-6-19/h1-12,16,23,25-26H,13-15,17H2.
What are the key properties of 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol has a molecular weight of 365.90 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 14368692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).