1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine

C11H15BrClN — CID 116907526

IUPAC1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(CCCl)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrClN/c1-14(2)11(7-8-13)9-3-5-10(12)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKeyDLHNXPBNKBUBRM-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine

1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine (PubChem CID 116907526) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
PubChem CID116907526
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(CCCl)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrClN/c1-14(2)11(7-8-13)9-3-5-10(12)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKeyDLHNXPBNKBUBRM-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
1-(4-butan-2-ylphenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907542
3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 116907540
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909752
4-(4-bromophenyl)-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908313
N-[(4-bromophenyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353948
3-[1-(4-bromophenyl)propyl-methylamino]propanoic acid
CID 65062958
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propane-1-thiol
CID 116908934
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 112501179
1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914319
1-bromo-4-(1-chloropropyl)benzene
CID 43114960

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine (CID 116907526) is 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine is CN(C)C(CCCl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine?
The InChIKey is DLHNXPBNKBUBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-14(2)11(7-8-13)9-3-5-10(12)6-4-9/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine?
1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine has a molecular weight of 276.61 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 116907526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).