4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol

C11H15BrClNO — CID 171065990

IUPAC4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
SMILESOCCCCNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClNO/c12-10-4-3-9(7-11(10)13)8-14-5-1-2-6-15/h3-4,7,14-15H,1-2,5-6,8H2
InChIKeyGUGUDIMRNSCDQO-UHFFFAOYSA-N
MW292.60 g/mol
LogP2.96
Rot. Bonds6

About 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol

4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol (PubChem CID 171065990) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
PubChem CID171065990
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
SMILESOCCCCNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClNO/c12-10-4-3-9(7-11(10)13)8-14-5-1-2-6-15/h3-4,7,14-15H,1-2,5-6,8H2
InChIKeyGUGUDIMRNSCDQO-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
CID 113352570
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
5-[(4-bromo-3-nitrophenyl)methylamino]pentan-1-ol
CID 107302954
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
1-[(4-bromo-3-chlorophenyl)methylamino]pentan-3-ol
CID 103581804
5-[(3-bromo-4-methoxyphenyl)methylamino]pentan-1-ol
CID 29223834
4-[(4-hydroxybutylamino)methyl]benzene-1,2-diol
CID 106841084
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
5-[(4-chloro-3-nitrophenyl)methylamino]pentan-1-ol
CID 82364708
5-[(3-bromophenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211575

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol?
The IUPAC name of 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol (CID 171065990) is 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol is OCCCCNCc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol?
The InChIKey is GUGUDIMRNSCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c12-10-4-3-9(7-11(10)13)8-14-5-1-2-6-15/h3-4,7,14-15H,1-2,5-6,8H2.
What are the key properties of 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol?
4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol has a molecular weight of 292.60 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 171065990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).