1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine

C15H21Cl2N — CID 55186388

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11H,2,5-8,10,18H2,1H3
InChIKeyJFGHIXBMWSSSCU-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.83
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine

1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 55186388) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID55186388
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11H,2,5-8,10,18H2,1H3
InChIKeyJFGHIXBMWSSSCU-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65395763
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082267
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine (CID 55186388) is 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is JFGHIXBMWSSSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11H,2,5-8,10,18H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55186388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).