N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline

C19H24N2O — CID 59230571

IUPACN-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline
SMILESCc1cc(OC2CCCC2)ccc1NCc1ccc(N)cc1
InChIInChI=1S/C19H24N2O/c1-14-12-18(22-17-4-2-3-5-17)10-11-19(14)21-13-15-6-8-16(20)9-7-15/h6-12,17,21H,2-5,13,20H2,1H3
InChIKeyJUYNGCRWYHPRGP-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.51
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline

N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline (PubChem CID 59230571) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline
PubChem CID59230571
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline
SMILESCc1cc(OC2CCCC2)ccc1NCc1ccc(N)cc1
InChIInChI=1S/C19H24N2O/c1-14-12-18(22-17-4-2-3-5-17)10-11-19(14)21-13-15-6-8-16(20)9-7-15/h6-12,17,21H,2-5,13,20H2,1H3
InChIKeyJUYNGCRWYHPRGP-UHFFFAOYSA-N
XLogP4.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline (CID 59230571) is N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline is Cc1cc(OC2CCCC2)ccc1NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline?
The InChIKey is JUYNGCRWYHPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-12-18(22-17-4-2-3-5-17)10-11-19(14)21-13-15-6-8-16(20)9-7-15/h6-12,17,21H,2-5,13,20H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline?
N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline has a molecular weight of 296.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-2-methylaniline is sourced from PubChem (CID 59230571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).