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

2,4-Dimethylaniline
CID 7250
2-Amino-5-(diethylamino)toluene
CID 67364
Benzenamine, 2,4-dimethyl-, hydrochloride (1:1)
CID 88898
2-amino-N-cyclohexyl-N-methylbenzylamine
CID 93648
4-[(Azepan-1-yl)methyl]aniline
CID 1084713
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
4-((4-Methylpiperazin-1-yl)methyl)aniline
CID 3153996
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
4-Dimethylaminophenethylamine
CID 151268
4-(Piperidin-1-ylmethyl)aniline
CID 846150

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).