N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine

C15H21Cl2N — CID 43317718

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-4-3-5-13(8-10)18-11(2)14-9-12(16)6-7-15(14)17/h6-7,9-11,13,18H,3-5,8H2,1-2H3
InChIKeyZPJJPQQTVWSTDM-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.22
Rot. Bonds3

About N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine

N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 43317718) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID43317718
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-4-3-5-13(8-10)18-11(2)14-9-12(16)6-7-15(14)17/h6-7,9-11,13,18H,3-5,8H2,1-2H3
InChIKeyZPJJPQQTVWSTDM-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 55193924
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902
3-fluoro-4-[1-[(3-methylcyclohexyl)amino]ethyl]phenol
CID 107714719
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62962007
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine (CID 43317718) is N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NC(C)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is ZPJJPQQTVWSTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-4-3-5-13(8-10)18-11(2)14-9-12(16)6-7-15(14)17/h6-7,9-11,13,18H,3-5,8H2,1-2H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine?
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43317718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).