N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C14H20BrN — CID 64909294

IUPACN-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccccc2Br)C1C
InChIInChI=1S/C14H20BrN/c1-10-7-8-14(11(10)2)16-9-12-5-3-4-6-13(12)15/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyXLCXDSGCYFLNJY-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.97
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64909294) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64909294
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccccc2Br)C1C
InChIInChI=1S/C14H20BrN/c1-10-7-8-14(11(10)2)16-9-12-5-3-4-6-13(12)15/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyXLCXDSGCYFLNJY-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 64909083
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
CID 115462069
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908855
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910368
2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
CID 66386630
N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 43433174
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64909294) is N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2ccccc2Br)C1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is XLCXDSGCYFLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-7-8-14(11(10)2)16-9-12-5-3-4-6-13(12)15/h3-6,10-11,14,16H,7-9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.97, 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]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).