N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine

C15H24N2 — CID 63300569

IUPACN-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccc(C)cc1)C1CCNC1
InChIInChI=1S/C15H24N2/c1-3-10-17(15-8-9-16-11-15)12-14-6-4-13(2)5-7-14/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyTYBDIQAATXDTMQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300569) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63300569
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccc(C)cc1)C1CCNC1
InChIInChI=1S/C15H24N2/c1-3-10-17(15-8-9-16-11-15)12-14-6-4-13(2)5-7-14/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyTYBDIQAATXDTMQ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
CID 69061911
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine (CID 63300569) is N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1ccc(C)cc1)C1CCNC1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is TYBDIQAATXDTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-10-17(15-8-9-16-11-15)12-14-6-4-13(2)5-7-14/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).