3-chloro-N,2-dimethyl-N-propylaniline

C11H16ClN — CID 123602210

IUPAC3-chloro-N,2-dimethyl-N-propylaniline
SMILESCCCN(C)c1cccc(Cl)c1C
InChIInChI=1S/C11H16ClN/c1-4-8-13(3)11-7-5-6-10(12)9(11)2/h5-7H,4,8H2,1-3H3
InChIKeyHFSNVGTUCMHTOV-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.49
Rot. Bonds3

About 3-chloro-N,2-dimethyl-N-propylaniline

3-chloro-N,2-dimethyl-N-propylaniline (PubChem CID 123602210) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-propylaniline.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-propylaniline
PubChem CID123602210
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-chloro-N,2-dimethyl-N-propylaniline
SMILESCCCN(C)c1cccc(Cl)c1C
InChIInChI=1S/C11H16ClN/c1-4-8-13(3)11-7-5-6-10(12)9(11)2/h5-7H,4,8H2,1-3H3
InChIKeyHFSNVGTUCMHTOV-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(2-chloroethyl)-N,2-dimethylaniline
CID 82114001
N,2-dimethyl-N-propylaniline
CID 69435269
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233
3-N-(3-chloro-2-methylphenyl)-3-N-methylbutane-1,3-diamine
CID 82115193
3-(3-chloro-N,2-dimethylanilino)butanenitrile
CID 82114706
2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride
CID 67899901
2-fluoro-N-methyl-N-propylaniline
CID 67818828
3-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 50895515
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-propylaniline?
The IUPAC name of 3-chloro-N,2-dimethyl-N-propylaniline (CID 123602210) is 3-chloro-N,2-dimethyl-N-propylaniline.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-propylaniline?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-propylaniline is CCCN(C)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-propylaniline?
The InChIKey is HFSNVGTUCMHTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-8-13(3)11-7-5-6-10(12)9(11)2/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-propylaniline?
3-chloro-N,2-dimethyl-N-propylaniline has a molecular weight of 197.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-propylaniline is sourced from PubChem (CID 123602210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).