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

C16H24BrN — CID 64907274

IUPAC3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2cccc(Br)c2)C1C
InChIInChI=1S/C16H24BrN/c1-3-9-18-16-8-7-14(12(16)2)10-13-5-4-6-15(17)11-13/h4-6,11-12,14,16,18H,3,7-10H2,1-2H3
InChIKeyZBGGKJUAWMXAAM-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.41
Rot. Bonds5

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

3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64907274) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64907274
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2cccc(Br)c2)C1C
InChIInChI=1S/C16H24BrN/c1-3-9-18-16-8-7-14(12(16)2)10-13-5-4-6-15(17)11-13/h4-6,11-12,14,16,18H,3,7-10H2,1-2H3
InChIKeyZBGGKJUAWMXAAM-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
CID 64910118
3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906963
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114333391
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine (CID 64907274) is 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2cccc(Br)c2)C1C.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is ZBGGKJUAWMXAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-9-18-16-8-7-14(12(16)2)10-13-5-4-6-15(17)11-13/h4-6,11-12,14,16,18H,3,7-10H2,1-2H3.
What are the key properties of 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64907274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).