N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline

C18H21NO2 — CID 79969085

IUPACN-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(C3CC3)cc2)cc1OC
InChIInChI=1S/C18H21NO2/c1-20-17-10-9-16(11-18(17)21-2)19-12-13-3-5-14(6-4-13)15-7-8-15/h3-6,9-11,15,19H,7-8,12H2,1-2H3
InChIKeyKLDCFZSMZPKNEE-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.19
Rot. Bonds6

About N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline

N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline (PubChem CID 79969085) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
PubChem CID79969085
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(C3CC3)cc2)cc1OC
InChIInChI=1S/C18H21NO2/c1-20-17-10-9-16(11-18(17)21-2)19-12-13-3-5-14(6-4-13)15-7-8-15/h3-6,9-11,15,19H,7-8,12H2,1-2H3
InChIKeyKLDCFZSMZPKNEE-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline 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]-4-fluoro-2-methoxyaniline
CID 79978801
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 103411352
4-bromo-N-[(3-cyclopropylphenyl)methyl]-3-methoxyaniline
CID 82858145
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
N-[(4-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979250
3-bromo-N-[(4-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 104776123
3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline (CID 79969085) is N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline is COc1ccc(NCc2ccc(C3CC3)cc2)cc1OC.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline?
The InChIKey is KLDCFZSMZPKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-10-9-16(11-18(17)21-2)19-12-13-3-5-14(6-4-13)15-7-8-15/h3-6,9-11,15,19H,7-8,12H2,1-2H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline?
N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline has a molecular weight of 283.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline is sourced from PubChem (CID 79969085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).