1-[(2-bromophenyl)methylamino]butan-2-ol

C11H16BrNO — CID 61401914

IUPAC1-[(2-bromophenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-2-10(14)8-13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKeySRLJLFOJGQJNGA-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.31
Rot. Bonds5

About 1-[(2-bromophenyl)methylamino]butan-2-ol

1-[(2-bromophenyl)methylamino]butan-2-ol (PubChem CID 61401914) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methylamino]butan-2-ol
PubChem CID61401914
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-[(2-bromophenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-2-10(14)8-13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKeySRLJLFOJGQJNGA-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65023948
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
methyl 3-bromo-4-[(2-hydroxybutylamino)methyl]benzoate
CID 102766879
N'-hydroxy-2-[(2-hydroxybutylamino)methyl]benzenecarboximidamide
CID 113492257
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
2-bromo-6-[(2-ethylbutylamino)methyl]phenol
CID 115616914
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
N-[(2-bromophenyl)methyl]-2-methylidenebutan-1-amine
CID 66045694
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(2-bromophenyl)methylamino]butan-2-ol (CID 61401914) is 1-[(2-bromophenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(2-bromophenyl)methylamino]butan-2-ol is CCC(O)CNCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methylamino]butan-2-ol?
The InChIKey is SRLJLFOJGQJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-10(14)8-13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methylamino]butan-2-ol?
1-[(2-bromophenyl)methylamino]butan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methylamino]butan-2-ol is sourced from PubChem (CID 61401914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).