4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline

C14H22N2 — CID 43270531

IUPAC4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
SMILESCCCN(Cc1ccc(N)c(C)c1)C1CC1
InChIInChI=1S/C14H22N2/c1-3-8-16(13-5-6-13)10-12-4-7-14(15)11(2)9-12/h4,7,9,13H,3,5-6,8,10,15H2,1-2H3
InChIKeyVFSXOHUDFYHQMJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.95
Rot. Bonds5

About 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline

4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline (PubChem CID 43270531) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
PubChem CID43270531
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
SMILESCCCN(Cc1ccc(N)c(C)c1)C1CC1
InChIInChI=1S/C14H22N2/c1-3-8-16(13-5-6-13)10-12-4-7-14(15)11(2)9-12/h4,7,9,13H,3,5-6,8,10,15H2,1-2H3
InChIKeyVFSXOHUDFYHQMJ-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline 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

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55009014
5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55009209
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-propylcyclopropanamine
CID 43270522
4-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788723
4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 114132964

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline?
The IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline (CID 43270531) is 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline is CCCN(Cc1ccc(N)c(C)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline?
The InChIKey is VFSXOHUDFYHQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-8-16(13-5-6-13)10-12-4-7-14(15)11(2)9-12/h4,7,9,13H,3,5-6,8,10,15H2,1-2H3.
What are the key properties of 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline?
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 43270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).