N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine

C13H18Cl2N2 — CID 104726369

IUPACN-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1cc(Cl)c(NC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-9-7-12(15)13(8-11(9)14)16-10-3-5-17(2)6-4-10/h7-8,10,16H,3-6H2,1-2H3
InChIKeyLGHPGEXYUPWGGV-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.81
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine

N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine (PubChem CID 104726369) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
PubChem CID104726369
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1cc(Cl)c(NC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-9-7-12(15)13(8-11(9)14)16-10-3-5-17(2)6-4-10/h7-8,10,16H,3-6H2,1-2H3
InChIKeyLGHPGEXYUPWGGV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 104726429
2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 104726497
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
N-(2,5-dichloro-4-methylphenyl)-1,1-dioxothian-3-amine
CID 113445780
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine (CID 104726369) is N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine is Cc1cc(Cl)c(NC2CCN(C)CC2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine?
The InChIKey is LGHPGEXYUPWGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-7-12(15)13(8-11(9)14)16-10-3-5-17(2)6-4-10/h7-8,10,16H,3-6H2,1-2H3.
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine?
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine has a molecular weight of 273.21 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 104726369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).