N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride

C13H19ClN2 — CID 82027061

IUPACN,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride
SMILESCN(C)c1cccc(C2=CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2.ClH/c1-15(2)13-5-3-4-12(10-13)11-6-8-14-9-7-11;/h3-6,10,14H,7-9H2,1-2H3;1H
InChIKeyMZPPXXLFCRMZGL-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.55
Rot. Bonds2

About N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride

N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride (PubChem CID 82027061) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride
PubChem CID82027061
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride
SMILESCN(C)c1cccc(C2=CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2.ClH/c1-15(2)13-5-3-4-12(10-13)11-6-8-14-9-7-11;/h3-6,10,14H,7-9H2,1-2H3;1H
InChIKeyMZPPXXLFCRMZGL-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylsulfanyl-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]hydroxylamine
CID 170568274
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
4-(3-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridine
CID 22397844
5-(3-methoxyphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71262155
4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 53434523
4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine
CID 22911551
4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
CID 59268455
3-(1H-inden-2-yl)-N,N-dimethylaniline
CID 86066545
4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine
CID 176867954
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
4-(4-chloro-3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
CID 79712172
2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
CID 67006265

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride (CID 82027061) is N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride is CN(C)c1cccc(C2=CCNCC2)c1.Cl.
What is the InChIKey of N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride?
The InChIKey is MZPPXXLFCRMZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.ClH/c1-15(2)13-5-3-4-12(10-13)11-6-8-14-9-7-11;/h3-6,10,14H,7-9H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride?
N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride is sourced from PubChem (CID 82027061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).