2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile

C13H16N2O — CID 65480955

IUPAC2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
SMILESCOc1cccc(NCC2(CC#N)CC2)c1
InChIInChI=1S/C13H16N2O/c1-16-12-4-2-3-11(9-12)15-10-13(5-6-13)7-8-14/h2-4,9,15H,5-7,10H2,1H3
InChIKeyYSWIQARLPLOWMB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 65480955) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
PubChem CID65480955
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
SMILESCOc1cccc(NCC2(CC#N)CC2)c1
InChIInChI=1S/C13H16N2O/c1-16-12-4-2-3-11(9-12)15-10-13(5-6-13)7-8-14/h2-4,9,15H,5-7,10H2,1H3
InChIKeyYSWIQARLPLOWMB-UHFFFAOYSA-N
XLogP2.80
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile 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-[1-[(3-iodoanilino)methyl]cyclopropyl]acetonitrile
CID 65481732
N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide
CID 65479559
2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile
CID 167856876
2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile
CID 65497530
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 65480751
2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65482331
2-[1-[(3-chloro-4-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 83107958
2-[1-[(3,4,5-trifluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65498604
ethane;N-ethyl-3-methoxyaniline
CID 142222302
1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
CID 54887163
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
CID 65479545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile (CID 65480955) is 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile is COc1cccc(NCC2(CC#N)CC2)c1.
What is the InChIKey of 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is YSWIQARLPLOWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-12-4-2-3-11(9-12)15-10-13(5-6-13)7-8-14/h2-4,9,15H,5-7,10H2,1H3.
What are the key properties of 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).