3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline

C13H19ClN2 — CID 163241438

IUPAC3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
SMILESCNc1cccc(Cl)c1N1CCCCC1C
InChIInChI=1S/C13H19ClN2/c1-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15-2/h5,7-8,10,15H,3-4,6,9H2,1-2H3
InChIKeyYYCRLNIEQGUDAC-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline

3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline (PubChem CID 163241438) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
PubChem CID163241438
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
SMILESCNc1cccc(Cl)c1N1CCCCC1C
InChIInChI=1S/C13H19ClN2/c1-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15-2/h5,7-8,10,15H,3-4,6,9H2,1-2H3
InChIKeyYYCRLNIEQGUDAC-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[3-chloro-2-(2-methylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 114069561
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
CID 80835819
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
3-methyl-2-(2-methylpiperidin-1-yl)benzoic acid
CID 107112011
[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
CID 60974509
4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
CID 82213966
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
The IUPAC name of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline (CID 163241438) is 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
The canonical SMILES for 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline is CNc1cccc(Cl)c1N1CCCCC1C.
What is the InChIKey of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
The InChIKey is YYCRLNIEQGUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15-2/h5,7-8,10,15H,3-4,6,9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline?
3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline has a molecular weight of 238.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 163241438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).