1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine

C19H24N2 — CID 43150672

IUPAC1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
SMILESCc1cc(C)cc(NC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H24N2/c1-15-10-16(2)12-19(11-15)20-18-8-9-21(14-18)13-17-6-4-3-5-7-17/h3-7,10-12,18,20H,8-9,13-14H2,1-2H3
InChIKeyXPXNJMMQQNLQTO-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.99
Rot. Bonds4

About 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine

1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine (PubChem CID 43150672) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
PubChem CID43150672
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
SMILESCc1cc(C)cc(NC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H24N2/c1-15-10-16(2)12-19(11-15)20-18-8-9-21(14-18)13-17-6-4-3-5-7-17/h3-7,10-12,18,20H,8-9,13-14H2,1-2H3
InChIKeyXPXNJMMQQNLQTO-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-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

(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
CID 104776249
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine
CID 62904412
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
CID 167503574

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine (CID 43150672) is 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine is Cc1cc(C)cc(NC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine?
The InChIKey is XPXNJMMQQNLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-10-16(2)12-19(11-15)20-18-8-9-21(14-18)13-17-6-4-3-5-7-17/h3-7,10-12,18,20H,8-9,13-14H2,1-2H3.
What are the key properties of 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine?
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43150672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).