N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine

C14H20BrN — CID 55151680

IUPACN-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H20BrN/c1-16(10-12-5-2-3-6-12)11-13-7-4-8-14(15)9-13/h4,7-9,12H,2-3,5-6,10-11H2,1H3
InChIKeyVVUPTBUHEOJZGM-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine

N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine (PubChem CID 55151680) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
PubChem CID55151680
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H20BrN/c1-16(10-12-5-2-3-6-12)11-13-7-4-8-14(15)9-13/h4,7-9,12H,2-3,5-6,10-11H2,1H3
InChIKeyVVUPTBUHEOJZGM-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
CID 66471626
2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 115557204
2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 113335088
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 61416171
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63657931
2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline
CID 115557165
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine (CID 55151680) is N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine is CN(Cc1cccc(Br)c1)CC1CCCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine?
The InChIKey is VVUPTBUHEOJZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-16(10-12-5-2-3-6-12)11-13-7-4-8-14(15)9-13/h4,7-9,12H,2-3,5-6,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine?
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 55151680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).