1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

C15H23BrN2 — CID 114544846

IUPAC1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccccc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-15(2)8-7-11(9-15)18-14(10-17)12-5-3-4-6-13(12)16/h3-6,11,14,18H,7-10,17H2,1-2H3
InChIKeyYPQYQUXNXBWNEL-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544846) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
PubChem CID114544846
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccccc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-15(2)8-7-11(9-15)18-14(10-17)12-5-3-4-6-13(12)16/h3-6,11,14,18H,7-10,17H2,1-2H3
InChIKeyYPQYQUXNXBWNEL-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine 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

2-Bromo-N-methylbenzylamine
CID 522360
1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
Benzenemethanamine, 2-bromo-N-ethyl-
CID 485401
Benzenemethanamine, 2-bromo-N-butyl-
CID 485402
2-Bromomethamphetamine
CID 107262
2-(4-Bromophenyl)pyrrolidine
CID 4281494
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057
N-[(3-bromophenyl)methyl]-1-[2-(methylamino)ethyl]azetidin-3-amine
CID 137647665
(4-Bromobenzyl)isopropylamine
CID 12939866
[(2-Bromophenyl)Methyl](Ethyl)Amine Hydrochloride
CID 49795959
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (CID 114544846) is 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is YPQYQUXNXBWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-15(2)8-7-11(9-15)18-14(10-17)12-5-3-4-6-13(12)16/h3-6,11,14,18H,7-10,17H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).