2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline

C13H19N — CID 126991741

IUPAC2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline
SMILESCc1ccc(C)c(NCC2(C)CC2)c1
InChIInChI=1S/C13H19N/c1-10-4-5-11(2)12(8-10)14-9-13(3)6-7-13/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyZTBXDDYWCZNEJT-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds3

About 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline

2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline (PubChem CID 126991741) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline
PubChem CID126991741
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline
SMILESCc1ccc(C)c(NCC2(C)CC2)c1
InChIInChI=1S/C13H19N/c1-10-4-5-11(2)12(8-10)14-9-13(3)6-7-13/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyZTBXDDYWCZNEJT-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline 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-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline
CID 130611807
4-[(2,5-dimethylanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499023
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
5-methyl-2-[(1-methylcyclobutyl)methylamino]benzenecarbothioamide
CID 114108061
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
2,5-dimethyl-N-[(4-nitrophenyl)methyl]aniline
CID 1133059
N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
CID 115256437
(2,5-dimethylanilino)methanesulfonic acid
CID 3019008
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
CID 103791906

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline (CID 126991741) is 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline is Cc1ccc(C)c(NCC2(C)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline?
The InChIKey is ZTBXDDYWCZNEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-4-5-11(2)12(8-10)14-9-13(3)6-7-13/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline?
2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 126991741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).