N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline

C15H19N3O2 — CID 66164456

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2cncn2C2CC2)c1
InChIInChI=1S/C15H19N3O2/c1-19-13-5-6-15(20-2)14(7-13)17-9-12-8-16-10-18(12)11-3-4-11/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyMPQRRJBOBMWJAA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.85
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline

N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline (PubChem CID 66164456) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
PubChem CID66164456
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2cncn2C2CC2)c1
InChIInChI=1S/C15H19N3O2/c1-19-13-5-6-15(20-2)14(7-13)17-9-12-8-16-10-18(12)11-3-4-11/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyMPQRRJBOBMWJAA-UHFFFAOYSA-N
XLogP2.85
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-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

2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylaniline
CID 82761082
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 79041997
4-bromo-2-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66164277
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylsulfonylaniline
CID 66162319
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877385
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
CID 66164331
4-bromo-2,3-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 107788117
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
CID 66163708
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 66162533

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline (CID 66164456) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NCc2cncn2C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline?
The InChIKey is MPQRRJBOBMWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13-5-6-15(20-2)14(7-13)17-9-12-8-16-10-18(12)11-3-4-11/h5-8,10-11,17H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline has a molecular weight of 273.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 66164456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).