[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine

C14H22N2 — CID 107105560

IUPAC[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
SMILESCCC1CCCN1c1c(C)cccc1CN
InChIInChI=1S/C14H22N2/c1-3-13-8-5-9-16(13)14-11(2)6-4-7-12(14)10-15/h4,6-7,13H,3,5,8-10,15H2,1-2H3
InChIKeyUZKYKIQCCZWYTE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.83
Rot. Bonds3

About [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine

[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine (PubChem CID 107105560) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
PubChem CID107105560
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
SMILESCCC1CCCN1c1c(C)cccc1CN
InChIInChI=1S/C14H22N2/c1-3-13-8-5-9-16(13)14-11(2)6-4-7-12(14)10-15/h4,6-7,13H,3,5,8-10,15H2,1-2H3
InChIKeyUZKYKIQCCZWYTE-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
2-(2-ethylazepan-1-yl)-3-methylbenzonitrile
CID 107107217
2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
CID 115550464
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
CID 107105667
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
2-[2-(aminomethyl)-6-methylphenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107105775
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine?
The IUPAC name of [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine (CID 107105560) is [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine?
The canonical SMILES for [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine is CCC1CCCN1c1c(C)cccc1CN.
What is the InChIKey of [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine?
The InChIKey is UZKYKIQCCZWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-13-8-5-9-16(13)14-11(2)6-4-7-12(14)10-15/h4,6-7,13H,3,5,8-10,15H2,1-2H3.
What are the key properties of [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine?
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine is sourced from PubChem (CID 107105560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).