2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol

C17H20ClNO — CID 61045994

IUPAC2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
SMILESCCC(CO)(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-17(13-20,15-8-10-16(18)11-9-15)19-12-14-6-4-3-5-7-14/h3-11,19-20H,2,12-13H2,1H3
InChIKeyJCTBDPZWEMKJHX-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.73
Rot. Bonds6

About 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol

2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol (PubChem CID 61045994) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
PubChem CID61045994
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
SMILESCCC(CO)(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-17(13-20,15-8-10-16(18)11-9-15)19-12-14-6-4-3-5-7-14/h3-11,19-20H,2,12-13H2,1H3
InChIKeyJCTBDPZWEMKJHX-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
CID 61046363
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
CID 75426168
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine
CID 177415024
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol
CID 96936562
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
2-(benzylamino)-1-(4-chlorophenyl)sulfinylpropan-2-ol
CID 169101346
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol (CID 61045994) is 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol is CCC(CO)(NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol?
The InChIKey is JCTBDPZWEMKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-17(13-20,15-8-10-16(18)11-9-15)19-12-14-6-4-3-5-7-14/h3-11,19-20H,2,12-13H2,1H3.
What are the key properties of 2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol?
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.73, 6 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)butan-1-ol is sourced from PubChem (CID 61045994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).