1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine

C15H23BrN2 — CID 64679525

IUPAC1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
SMILESCN(CCC1(N)CCCC1)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-18(10-9-15(17)7-2-3-8-15)12-13-5-4-6-14(16)11-13/h4-6,11H,2-3,7-10,12,17H2,1H3
InChIKeyYSPGNEXOJYDIGZ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine

1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine (PubChem CID 64679525) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
PubChem CID64679525
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
SMILESCN(CCC1(N)CCCC1)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-18(10-9-15(17)7-2-3-8-15)12-13-5-4-6-14(16)11-13/h4-6,11H,2-3,7-10,12,17H2,1H3
InChIKeyYSPGNEXOJYDIGZ-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
1-[2-[benzyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 64678874
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842495
1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine (CID 64679525) is 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine is CN(CCC1(N)CCCC1)Cc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
The InChIKey is YSPGNEXOJYDIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-18(10-9-15(17)7-2-3-8-15)12-13-5-4-6-14(16)11-13/h4-6,11H,2-3,7-10,12,17H2,1H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64679525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).