1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol

C12H17BrClNO — CID 115660111

IUPAC1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C12H17BrClNO/c1-2-3-11(16)8-15-7-9-6-10(14)4-5-12(9)13/h4-6,11,15-16H,2-3,7-8H2,1H3
InChIKeyUASWIMCHUWWMQY-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.35
Rot. Bonds6

About 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol

1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol (PubChem CID 115660111) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
PubChem CID115660111
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C12H17BrClNO/c1-2-3-11(16)8-15-7-9-6-10(14)4-5-12(9)13/h4-6,11,15-16H,2-3,7-8H2,1H3
InChIKeyUASWIMCHUWWMQY-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
CID 165476502
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 66159586
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 66159282
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
(2S)-4-[(2-bromo-4-chlorophenyl)methylamino]butan-2-ol
CID 97357963
2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
1-[(2,3,6-trichlorophenyl)methylamino]pentan-2-ol
CID 115623308
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol (CID 115660111) is 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol is CCCC(O)CNCc1cc(Cl)ccc1Br.
What is the InChIKey of 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol?
The InChIKey is UASWIMCHUWWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-2-3-11(16)8-15-7-9-6-10(14)4-5-12(9)13/h4-6,11,15-16H,2-3,7-8H2,1H3.
What are the key properties of 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol?
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol has a molecular weight of 306.63 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 115660111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).