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

C17H27BrN2 — CID 62610873

IUPAC2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(C)Cc1ccccc1Br
InChIInChI=1S/C17H27BrN2/c1-3-11-19-17-10-6-8-15(17)13-20(2)12-14-7-4-5-9-16(14)18/h4-5,7,9,15,17,19H,3,6,8,10-13H2,1-2H3
InChIKeyVONJKZNYAHFLNY-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds7

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

2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 62610873) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
PubChem CID62610873
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(C)Cc1ccccc1Br
InChIInChI=1S/C17H27BrN2/c1-3-11-19-17-10-6-8-15(17)13-20(2)12-14-7-4-5-9-16(14)18/h4-5,7,9,15,17,19H,3,6,8,10-13H2,1-2H3
InChIKeyVONJKZNYAHFLNY-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

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Related Compounds

2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62616260
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609628
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine (CID 62610873) is 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN(C)Cc1ccccc1Br.
What is the InChIKey of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is VONJKZNYAHFLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-11-19-17-10-6-8-15(17)13-20(2)12-14-7-4-5-9-16(14)18/h4-5,7,9,15,17,19H,3,6,8,10-13H2,1-2H3.
What are the key properties of 2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine?
2-[[(2-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-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62610873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).