2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine

C17H27BrN2 — CID 62609650

IUPAC2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C17H27BrN2/c1-3-10-19-17-9-5-7-15(17)13-20(2)12-14-6-4-8-16(18)11-14/h4,6,8,11,15,17,19H,3,5,7,9-10,12-13H2,1-2H3
InChIKeyJTWANSZYJYIYGV-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds7

About 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine

2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 62609650) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
PubChem CID62609650
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C17H27BrN2/c1-3-10-19-17-9-5-7-15(17)13-20(2)12-14-6-4-8-16(18)11-14/h4,6,8,11,15,17,19H,3,5,7,9-10,12-13H2,1-2H3
InChIKeyJTWANSZYJYIYGV-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-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

2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609628
2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
CID 79577299
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62616260
N-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 62610042
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
CID 62610535
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine (CID 62609650) is 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is JTWANSZYJYIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-10-19-17-9-5-7-15(17)13-20(2)12-14-6-4-8-16(18)11-14/h4,6,8,11,15,17,19H,3,5,7,9-10,12-13H2,1-2H3.
What are the key properties of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62609650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).