N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine

C16H24BrN — CID 80705179

IUPACN-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCC(NC1CCC(C)(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-4-15(12-5-7-13(17)8-6-12)18-14-9-10-16(2,3)11-14/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyMYQYJEYMQXGFAS-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705179) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80705179
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCC(NC1CCC(C)(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-4-15(12-5-7-13(17)8-6-12)18-14-9-10-16(2,3)11-14/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyMYQYJEYMQXGFAS-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-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-Bromophenyl)ethylamine
CID 91175
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
p-Bromomethamphetamine
CID 107257
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
(alphaS)-4-Bromo-alpha-methylbenzenemethanamine
CID 852999
2-(4-Bromophenyl)pyrrolidine
CID 4281494
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine (CID 80705179) is N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine is CCC(NC1CCC(C)(C)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is MYQYJEYMQXGFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-4-15(12-5-7-13(17)8-6-12)18-14-9-10-16(2,3)11-14/h5-8,14-15,18H,4,9-11H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).