1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine

C16H26BrN — CID 115846083

IUPAC1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Br)ccc1C
InChIInChI=1S/C16H26BrN/c1-5-9-18-16(10-12(3)6-2)15-11-14(17)8-7-13(15)4/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyBCXQRSLCHSNVLD-UHFFFAOYSA-N
MW312.30 g/mol
LogP5.23
Rot. Bonds7

About 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine

1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 115846083) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID115846083
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Br)ccc1C
InChIInChI=1S/C16H26BrN/c1-5-9-18-16(10-12(3)6-2)15-11-14(17)8-7-13(15)4/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyBCXQRSLCHSNVLD-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-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-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
CID 105017274
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874478

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine (CID 115846083) is 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is BCXQRSLCHSNVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-9-18-16(10-12(3)6-2)15-11-14(17)8-7-13(15)4/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine?
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 115846083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).