(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol

C11H16BrNO — CID 103854762

IUPAC(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
SMILESC[C@H](CCO)NCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-9(5-6-14)13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyJSYXLKDFUJTBQD-SECBINFHSA-N
MW258.16 g/mol
LogP2.31
Rot. Bonds5

About (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol

(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol (PubChem CID 103854762) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
PubChem CID103854762
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
SMILESC[C@H](CCO)NCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-9(5-6-14)13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyJSYXLKDFUJTBQD-SECBINFHSA-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

Analyze (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol?
The IUPAC name of (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol (CID 103854762) is (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol is C[C@H](CCO)NCc1cccc(Br)c1.
What is the InChIKey of (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol?
The InChIKey is JSYXLKDFUJTBQD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9(5-6-14)13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol?
(3R)-3-[(3-bromophenyl)methylamino]butan-1-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 (3R)-3-[(3-bromophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103854762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).