2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine

C16H26N2 — CID 81322135

IUPAC2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
SMILESCN(CCc1ccccc1CN)CC1CCCC1
InChIInChI=1S/C16H26N2/c1-18(13-14-6-2-3-7-14)11-10-15-8-4-5-9-16(15)12-17/h4-5,8-9,14H,2-3,6-7,10-13,17H2,1H3
InChIKeyFNFDATHCAADECN-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine

2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine (PubChem CID 81322135) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
PubChem CID81322135
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
SMILESCN(CCc1ccccc1CN)CC1CCCC1
InChIInChI=1S/C16H26N2/c1-18(13-14-6-2-3-7-14)11-10-15-8-4-5-9-16(15)12-17/h4-5,8-9,14H,2-3,6-7,10-13,17H2,1H3
InChIKeyFNFDATHCAADECN-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine
CID 81321976
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
CID 63656962
6-[2-[cyclohexylmethyl(methyl)amino]ethyl]pyridin-3-amine
CID 107340126
4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 115213756
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107398398
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine (CID 81322135) is 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine is CN(CCc1ccccc1CN)CC1CCCC1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine?
The InChIKey is FNFDATHCAADECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(13-14-6-2-3-7-14)11-10-15-8-4-5-9-16(15)12-17/h4-5,8-9,14H,2-3,6-7,10-13,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine?
2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine is sourced from PubChem (CID 81322135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).