2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine

C13H17Cl2N — CID 81013313

IUPAC2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H17Cl2N/c1-8-2-5-13(16)11(6-8)10-7-9(14)3-4-12(10)15/h3-4,7-8,11,13H,2,5-6,16H2,1H3
InChIKeyQUBMEEWWGYLOQW-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.22
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine

2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine (PubChem CID 81013313) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
PubChem CID81013313
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H17Cl2N/c1-8-2-5-13(16)11(6-8)10-7-9(14)3-4-12(10)15/h3-4,7-8,11,13H,2,5-6,16H2,1H3
InChIKeyQUBMEEWWGYLOQW-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
CID 81014836
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033499
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81032114
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010425
2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine
CID 104739397
(1S,2S,4S)-2-amino-4-(2,5-dichlorophenyl)cyclohexan-1-ol
CID 139433776
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
CID 81014496
4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102756356
4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine
CID 81014747
(3aS,5R,7aS)-2-(2,5-dichlorophenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124713079
3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine
CID 81417802
2-(2-bromocyclopentyl)-1,4-dichlorobenzene
CID 63512302

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine (CID 81013313) is 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine?
The InChIKey is QUBMEEWWGYLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-8-2-5-13(16)11(6-8)10-7-9(14)3-4-12(10)15/h3-4,7-8,11,13H,2,5-6,16H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine?
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 81013313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).