N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine

C14H22N2 — CID 81493085

IUPACN-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCNC1CCN(C(C)c2cccc(C)c2)C1
InChIInChI=1S/C14H22N2/c1-11-5-4-6-13(9-11)12(2)16-8-7-14(10-16)15-3/h4-6,9,12,14-15H,7-8,10H2,1-3H3
InChIKeyHPSFYDGFZGLEGP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine

N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 81493085) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID81493085
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCNC1CCN(C(C)c2cccc(C)c2)C1
InChIInChI=1S/C14H22N2/c1-11-5-4-6-13(9-11)12(2)16-8-7-14(10-16)15-3/h4-6,9,12,14-15H,7-8,10H2,1-3H3
InChIKeyHPSFYDGFZGLEGP-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120774495
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129330227

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine (CID 81493085) is N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine is CNC1CCN(C(C)c2cccc(C)c2)C1.
What is the InChIKey of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is HPSFYDGFZGLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-4-6-13(9-11)12(2)16-8-7-14(10-16)15-3/h4-6,9,12,14-15H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81493085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).