1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine

C15H23BrClN — CID 113471252

IUPAC1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H23BrClN/c1-5-8-18-14(15(2,3)4)9-11-6-7-12(16)10-13(11)17/h6-7,10,14,18H,5,8-9H2,1-4H3
InChIKeyCVEBSLDYLGZOOS-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.06
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine

1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 113471252) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID113471252
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H23BrClN/c1-5-8-18-14(15(2,3)4)9-11-6-7-12(16)10-13(11)17/h6-7,10,14,18H,5,8-9H2,1-4H3
InChIKeyCVEBSLDYLGZOOS-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine 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

1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
CID 105037738
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
[1-(4-bromo-2-chlorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274474
1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
N-[2-(4-bromo-2-chlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105181752

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine (CID 113471252) is 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(Cc1ccc(Br)cc1Cl)C(C)(C)C.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is CVEBSLDYLGZOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-5-8-18-14(15(2,3)4)9-11-6-7-12(16)10-13(11)17/h6-7,10,14,18H,5,8-9H2,1-4H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 332.71 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 113471252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).