N,2-dimethyl-6-[3-(methylamino)propyl]aniline

C12H20N2 — CID 143047575

IUPACN,2-dimethyl-6-[3-(methylamino)propyl]aniline
SMILESCNCCCc1cccc(C)c1NC
InChIInChI=1S/C12H20N2/c1-10-6-4-7-11(12(10)14-3)8-5-9-13-2/h4,6-7,13-14H,5,8-9H2,1-3H3
InChIKeyIYGYBMIYYOPZRK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.19
Rot. Bonds5

About N,2-dimethyl-6-[3-(methylamino)propyl]aniline

N,2-dimethyl-6-[3-(methylamino)propyl]aniline (PubChem CID 143047575) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,2-dimethyl-6-[3-(methylamino)propyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-6-[3-(methylamino)propyl]aniline
PubChem CID143047575
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,2-dimethyl-6-[3-(methylamino)propyl]aniline
SMILESCNCCCc1cccc(C)c1NC
InChIInChI=1S/C12H20N2/c1-10-6-4-7-11(12(10)14-3)8-5-9-13-2/h4,6-7,13-14H,5,8-9H2,1-3H3
InChIKeyIYGYBMIYYOPZRK-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(methylamino)propyl]benzene-1,2-diol
CID 84732350
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
2-butyl-6-fluoro-N-methylaniline
CID 22769598
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
N-methyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272321
N-methyl-3-(3-methyl-1,1-dioxo-1-benzothiophen-7-yl)propan-1-amine
CID 117205341
N-methyl-3-(2-methyl-1,1-dioxo-1-benzothiophen-4-yl)propan-1-amine
CID 117204313
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
N-methyl-2-(2-methylphenyl)ethanamine;toluene
CID 142152670
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[3-(methylamino)propyl]aniline?
The IUPAC name of N,2-dimethyl-6-[3-(methylamino)propyl]aniline (CID 143047575) is N,2-dimethyl-6-[3-(methylamino)propyl]aniline.
What is the SMILES notation for N,2-dimethyl-6-[3-(methylamino)propyl]aniline?
The canonical SMILES for N,2-dimethyl-6-[3-(methylamino)propyl]aniline is CNCCCc1cccc(C)c1NC.
What is the InChIKey of N,2-dimethyl-6-[3-(methylamino)propyl]aniline?
The InChIKey is IYGYBMIYYOPZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-6-4-7-11(12(10)14-3)8-5-9-13-2/h4,6-7,13-14H,5,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-6-[3-(methylamino)propyl]aniline?
N,2-dimethyl-6-[3-(methylamino)propyl]aniline has a molecular weight of 192.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[3-(methylamino)propyl]aniline is sourced from PubChem (CID 143047575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).