N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline

C17H19NO — CID 79979621

IUPACN-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C17H19NO/c1-19-17-10-8-16(9-11-17)18-12-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-11,15,18H,6-7,12H2,1H3
InChIKeyLENOOPNVGBOQGE-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.18
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline

N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline (PubChem CID 79979621) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
PubChem CID79979621
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C17H19NO/c1-19-17-10-8-16(9-11-17)18-12-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-11,15,18H,6-7,12H2,1H3
InChIKeyLENOOPNVGBOQGE-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline 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

N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
CID 79969085
N-[(4-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979250
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
CID 170160185
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
CID 135242208
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
CID 166807516

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline (CID 79979621) is N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(C3CC3)cc2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline?
The InChIKey is LENOOPNVGBOQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-10-8-16(9-11-17)18-12-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-11,15,18H,6-7,12H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline?
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline has a molecular weight of 253.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 79979621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).