[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine

C15H24N2 — CID 113418166

IUPAC[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1N1CCC(C(C)C)C1
InChIInChI=1S/C15H24N2/c1-11(2)14-6-7-17(10-14)15-5-4-13(9-16)8-12(15)3/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyHQQRTNOLGOKHIE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.94
Rot. Bonds3

About [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine

[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 113418166) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID113418166
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1N1CCC(C(C)C)C1
InChIInChI=1S/C15H24N2/c1-11(2)14-6-7-17(10-14)15-5-4-13(9-16)8-12(15)3/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyHQQRTNOLGOKHIE-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]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-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
CID 55219788
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
CID 130921105
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114862190
2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
CID 63786885
1-[4-(chloromethyl)-2-nitrophenyl]-3-propan-2-ylpyrrolidine
CID 113418081
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 114679400
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79174316

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine (CID 113418166) is [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine is Cc1cc(CN)ccc1N1CCC(C(C)C)C1.
What is the InChIKey of [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is HQQRTNOLGOKHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)14-6-7-17(10-14)15-5-4-13(9-16)8-12(15)3/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3.
What are the key properties of [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine?
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 113418166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).