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

C17H20BrNO — CID 61046914

IUPAC2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
SMILESCCC(CO)(NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/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
InChIKeyQPLQWPYLGAJFDW-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.84
Rot. Bonds6

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

2-(benzylamino)-2-(4-bromophenyl)butan-1-ol (PubChem CID 61046914) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
PubChem CID61046914
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
SMILESCCC(CO)(NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/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
InChIKeyQPLQWPYLGAJFDW-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.84
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-chlorophenyl)butan-1-ol
CID 61045994
2-(4-bromophenyl)-2-(methylamino)butan-1-ol
CID 61056533
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
CID 75426168
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
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
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
CID 11769859
2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol
CID 63428353

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol (CID 61046914) is 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol is CCC(CO)(NCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-bromophenyl)butan-1-ol?
The InChIKey is QPLQWPYLGAJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/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-bromophenyl)butan-1-ol?
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 3.84, 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-bromophenyl)butan-1-ol is sourced from PubChem (CID 61046914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).