1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine

C14H23N3 — CID 63532635

IUPAC1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(N(C)C)C2)cc1N
InChIInChI=1S/C14H23N3/c1-11-4-5-12(8-14(11)15)9-17-7-6-13(10-17)16(2)3/h4-5,8,13H,6-7,9-10,15H2,1-3H3
InChIKeyORWQPYFZFQDKHJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.71
Rot. Bonds3

About 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine

1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63532635) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63532635
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(N(C)C)C2)cc1N
InChIInChI=1S/C14H23N3/c1-11-4-5-12(8-14(11)15)9-17-7-6-13(10-17)16(2)3/h4-5,8,13H,6-7,9-10,15H2,1-3H3
InChIKeyORWQPYFZFQDKHJ-UHFFFAOYSA-N
XLogP1.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-4-methylphenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55224176
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368313
1-[(3-amino-4-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 115557189
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 65339321
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 63532635) is 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(CN2CCC(N(C)C)C2)cc1N.
What is the InChIKey of 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ORWQPYFZFQDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-5-12(8-14(11)15)9-17-7-6-13(10-17)16(2)3/h4-5,8,13H,6-7,9-10,15H2,1-3H3.
What are the key properties of 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63532635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).