N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C14H22N2 — CID 60855729

IUPACN-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCc1ccc(CNCC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2/c1-12-3-5-13(6-4-12)9-15-10-14-7-8-16(2)11-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyYABIBLHXISFWRZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.04
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 60855729) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID60855729
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCc1ccc(CNCC2CCN(C)C2)cc1
InChIInChI=1S/C14H22N2/c1-12-3-5-13(6-4-12)9-15-10-14-7-8-16(2)11-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyYABIBLHXISFWRZ-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)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

1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
N-[(3-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 115876249
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 143478398
1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
CID 97034738
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 60855729) is N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is Cc1ccc(CNCC2CCN(C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is YABIBLHXISFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-3-5-13(6-4-12)9-15-10-14-7-8-16(2)11-14/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 60855729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).