N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine

C13H18BrN — CID 61365185

IUPACN-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrN/c1-13(8-4-5-9-13)15-10-11-6-2-3-7-12(11)14/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeyFMDHKJDRGYOIPE-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.87
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 61365185) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine
PubChem CID61365185
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrN/c1-13(8-4-5-9-13)15-10-11-6-2-3-7-12(11)14/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeyFMDHKJDRGYOIPE-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-(naphthalen-1-ylmethyl)cyclopentan-1-amine
CID 61363824
4-bromo-3-[[(1-methylcyclopentyl)amino]methyl]aniline
CID 115297761
2-[2-[[(1-methylcyclohexyl)amino]methyl]phenyl]acetic acid
CID 115461860
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365576
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365000

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine (CID 61365185) is N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine is CC1(NCc2ccccc2Br)CCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is FMDHKJDRGYOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(8-4-5-9-13)15-10-11-6-2-3-7-12(11)14/h2-3,6-7,15H,4-5,8-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine?
N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 61365185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).