[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine

C14H21ClN2 — CID 114075917

IUPAC[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCc1cc(Cl)ccc1C1C(CN)CCCN1C
InChIInChI=1S/C14H21ClN2/c1-10-8-12(15)5-6-13(10)14-11(9-16)4-3-7-17(14)2/h5-6,8,11,14H,3-4,7,9,16H2,1-2H3
InChIKeyMMYUXPMZMPRFMU-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.99
Rot. Bonds2

About [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine

[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine (PubChem CID 114075917) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
PubChem CID114075917
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCc1cc(Cl)ccc1C1C(CN)CCCN1C
InChIInChI=1S/C14H21ClN2/c1-10-8-12(15)5-6-13(10)14-11(9-16)4-3-7-17(14)2/h5-6,8,11,14H,3-4,7,9,16H2,1-2H3
InChIKeyMMYUXPMZMPRFMU-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
[2-(5-bromo-2-chlorophenyl)-1-methylazepan-3-yl]methanamine
CID 114077283
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114075960
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
CID 66159561
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
[1-methyl-2-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 114058116

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine (CID 114075917) is [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine is Cc1cc(Cl)ccc1C1C(CN)CCCN1C.
What is the InChIKey of [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is MMYUXPMZMPRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-8-12(15)5-6-13(10)14-11(9-16)4-3-7-17(14)2/h5-6,8,11,14H,3-4,7,9,16H2,1-2H3.
What are the key properties of [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine?
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 252.79 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114075917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).