1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine

C16H27N3 — CID 55219788

IUPAC1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(CN)cc2C)C1
InChIInChI=1S/C16H27N3/c1-4-18(5-2)15-8-9-19(12-15)16-7-6-14(11-17)10-13(16)3/h6-7,10,15H,4-5,8-9,11-12,17H2,1-3H3
InChIKeyDQXKSWRQCHCZOJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine

1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 55219788) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID55219788
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(CN)cc2C)C1
InChIInChI=1S/C16H27N3/c1-4-18(5-2)15-8-9-19(12-15)16-7-6-14(11-17)10-13(16)3/h6-7,10,15H,4-5,8-9,11-12,17H2,1-3H3
InChIKeyDQXKSWRQCHCZOJ-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine 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-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
CID 130921105
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzonitrile
CID 107927459
1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 107532368
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
N,N-diethyl-1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63164577
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzenecarbothioamide
CID 107928962
N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133341263
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
1-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63171615

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine (CID 55219788) is 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2ccc(CN)cc2C)C1.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is DQXKSWRQCHCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-18(5-2)15-8-9-19(12-15)16-7-6-14(11-17)10-13(16)3/h6-7,10,15H,4-5,8-9,11-12,17H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine?
1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 55219788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).