2-(benzylamino)-2-(4-chlorophenyl)ethanol

C15H16ClNO — CID 61046547

IUPAC2-(benzylamino)-2-(4-chlorophenyl)ethanol
SMILESOCC(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-14-8-6-13(7-9-14)15(11-18)17-10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyRABSPGIBSHMDSP-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.16
Rot. Bonds5

About 2-(benzylamino)-2-(4-chlorophenyl)ethanol

2-(benzylamino)-2-(4-chlorophenyl)ethanol (PubChem CID 61046547) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-chlorophenyl)ethanol
PubChem CID61046547
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(benzylamino)-2-(4-chlorophenyl)ethanol
SMILESOCC(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-14-8-6-13(7-9-14)15(11-18)17-10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyRABSPGIBSHMDSP-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65383375
[(S)-(benzylamino)-(4-chlorophenyl)methyl]-hydroxy-oxophosphanium
CID 7005938
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(benzylamino)-2-(4-chlorophenyl)ethanol (CID 61046547) is 2-(benzylamino)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(benzylamino)-2-(4-chlorophenyl)ethanol is OCC(NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-chlorophenyl)ethanol?
The InChIKey is RABSPGIBSHMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-8-6-13(7-9-14)15(11-18)17-10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2.
What are the key properties of 2-(benzylamino)-2-(4-chlorophenyl)ethanol?
2-(benzylamino)-2-(4-chlorophenyl)ethanol has a molecular weight of 261.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 61046547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).