N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine

C15H24N2 — CID 112518014

IUPACN-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
SMILESCNCCCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-16-11-3-2-6-14-7-9-15(10-8-14)17-12-4-5-13-17/h7-10,16H,2-6,11-13H2,1H3
InChIKeyPIHRWSKFRLUHLJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine

N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine (PubChem CID 112518014) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
PubChem CID112518014
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
SMILESCNCCCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-16-11-3-2-6-14-7-9-15(10-8-14)17-12-4-5-13-17/h7-10,16H,2-6,11-13H2,1H3
InChIKeyPIHRWSKFRLUHLJ-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-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

1-(4-pentylphenyl)pyrrolidine
CID 168512151
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
N-methyl-9-phenylnonan-1-amine
CID 10609702
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine?
The IUPAC name of N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine (CID 112518014) is N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine?
The canonical SMILES for N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine is CNCCCCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine?
The InChIKey is PIHRWSKFRLUHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-11-3-2-6-14-7-9-15(10-8-14)17-12-4-5-13-17/h7-10,16H,2-6,11-13H2,1H3.
What are the key properties of N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine?
N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine is sourced from PubChem (CID 112518014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).