2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline

C18H22N2 — CID 43766097

IUPAC2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCc1ccccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N2/c1-15-6-2-3-7-18(15)19-14-16-8-10-17(11-9-16)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-14H2,1H3
InChIKeyBTPCXBUQDIFVSI-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.21
Rot. Bonds4

About 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline

2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline (PubChem CID 43766097) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
PubChem CID43766097
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCc1ccccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N2/c1-15-6-2-3-7-18(15)19-14-16-8-10-17(11-9-16)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-14H2,1H3
InChIKeyBTPCXBUQDIFVSI-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline 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

2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
CID 43790512
2-methyl-3-methylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]aniline
CID 167753969
2-chloro-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107630649
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
CID 104819734
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline (CID 43766097) is 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline is Cc1ccccc1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The InChIKey is BTPCXBUQDIFVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-6-2-3-7-18(15)19-14-16-8-10-17(11-9-16)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-14H2,1H3.
What are the key properties of 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43766097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).