N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

C15H24N2 — CID 62617685

IUPACN-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(CCN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)15(16-2)9-12-17-10-3-4-11-17/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyXOCLZNFZDJSAOV-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62617685) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62617685
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(CCN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)15(16-2)9-12-17-10-3-4-11-17/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyXOCLZNFZDJSAOV-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107459390
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 63634255
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 62617685) is N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is CNC(CCN1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is XOCLZNFZDJSAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)15(16-2)9-12-17-10-3-4-11-17/h5-8,15-16H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62617685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).