2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline

C13H19ClN2 — CID 106633070

IUPAC2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
SMILESCc1ccc(NCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-6-13(12(14)8-10)16-9-11-4-2-3-7-15-11/h5-6,8,11,15-16H,2-4,7,9H2,1H3
InChIKeyMJMUEIIBYNNVLF-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline

2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106633070) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
PubChem CID106633070
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
SMILESCc1ccc(NCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-6-13(12(14)8-10)16-9-11-4-2-3-7-15-11/h5-6,8,11,15-16H,2-4,7,9H2,1H3
InChIKeyMJMUEIIBYNNVLF-UHFFFAOYSA-N
XLogP3.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
N-[(4-tert-butylcyclohexyl)methyl]-2-chloro-4-methylaniline
CID 104574833
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
2-chloro-N-(1,3-dioxan-4-ylmethyl)-4-methylaniline
CID 81102036
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106865751
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline (CID 106633070) is 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline is Cc1ccc(NCC2CCCCN2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is MJMUEIIBYNNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-6-13(12(14)8-10)16-9-11-4-2-3-7-15-11/h5-6,8,11,15-16H,2-4,7,9H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline?
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 238.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106633070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).