N-methyl-3-[1-(methylamino)propyl]aniline

C11H18N2 — CID 116951935

IUPACN-methyl-3-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1cccc(NC)c1
InChIInChI=1S/C11H18N2/c1-4-11(13-3)9-6-5-7-10(8-9)12-2/h5-8,11-13H,4H2,1-3H3
InChIKeyWPVUYYJMWXXHED-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.40
Rot. Bonds4

About N-methyl-3-[1-(methylamino)propyl]aniline

N-methyl-3-[1-(methylamino)propyl]aniline (PubChem CID 116951935) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-3-[1-(methylamino)propyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[1-(methylamino)propyl]aniline
PubChem CID116951935
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-3-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1cccc(NC)c1
InChIInChI=1S/C11H18N2/c1-4-11(13-3)9-6-5-7-10(8-9)12-2/h5-8,11-13H,4H2,1-3H3
InChIKeyWPVUYYJMWXXHED-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-[1-(methylamino)propyl]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

(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
ethane;3-[1-(methylamino)propyl]phenol
CID 143762212
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
3-[3-[1-(methylamino)propyl]phenyl]benzonitrile
CID 54911796
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(methylamino)propyl]aniline?
The IUPAC name of N-methyl-3-[1-(methylamino)propyl]aniline (CID 116951935) is N-methyl-3-[1-(methylamino)propyl]aniline.
What is the SMILES notation for N-methyl-3-[1-(methylamino)propyl]aniline?
The canonical SMILES for N-methyl-3-[1-(methylamino)propyl]aniline is CCC(NC)c1cccc(NC)c1.
What is the InChIKey of N-methyl-3-[1-(methylamino)propyl]aniline?
The InChIKey is WPVUYYJMWXXHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-11(13-3)9-6-5-7-10(8-9)12-2/h5-8,11-13H,4H2,1-3H3.
What are the key properties of N-methyl-3-[1-(methylamino)propyl]aniline?
N-methyl-3-[1-(methylamino)propyl]aniline has a molecular weight of 178.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(methylamino)propyl]aniline is sourced from PubChem (CID 116951935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).