2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline

C15H23ClN2 — CID 114592004

IUPAC2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
SMILESCc1cc(N)c(Cl)cc1N1CC(C)CC(C)C1C
InChIInChI=1S/C15H23ClN2/c1-9-5-10(2)12(4)18(8-9)15-7-13(16)14(17)6-11(15)3/h6-7,9-10,12H,5,8,17H2,1-4H3
InChIKeyJZSOITHOVLXZBC-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.10
Rot. Bonds1

About 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline

2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline (PubChem CID 114592004) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
PubChem CID114592004
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
SMILESCc1cc(N)c(Cl)cc1N1CC(C)CC(C)C1C
InChIInChI=1S/C15H23ClN2/c1-9-5-10(2)12(4)18(8-9)15-7-13(16)14(17)6-11(15)3/h6-7,9-10,12H,5,8,17H2,1-4H3
InChIKeyJZSOITHOVLXZBC-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline
CID 113334378
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114594256
1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
CID 114677683
[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114592123
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593469
6-(trifluoromethyl)-4-(2,3,5-trimethylpiperidin-1-yl)pyridin-3-amine
CID 106748120
2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
CID 102955583
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 114593690
4-(azocan-1-yl)-2-chloro-5-methylaniline
CID 113334138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
The IUPAC name of 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline (CID 114592004) is 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
The canonical SMILES for 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline is Cc1cc(N)c(Cl)cc1N1CC(C)CC(C)C1C.
What is the InChIKey of 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
The InChIKey is JZSOITHOVLXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-9-5-10(2)12(4)18(8-9)15-7-13(16)14(17)6-11(15)3/h6-7,9-10,12H,5,8,17H2,1-4H3.
What are the key properties of 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline has a molecular weight of 266.82 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline is sourced from PubChem (CID 114592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).