1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H21Cl2N — CID 64753224

IUPAC1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-5-11(2)8-15(18,7-10)9-12-3-4-13(16)6-14(12)17/h3-4,6,10-11H,5,7-9,18H2,1-2H3
InChIKeyNPCVSZAFPMZFTC-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.69
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64753224) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64753224
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-5-11(2)8-15(18,7-10)9-12-3-4-13(16)6-14(12)17/h3-4,6,10-11H,5,7-9,18H2,1-2H3
InChIKeyNPCVSZAFPMZFTC-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 103047881
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
1-[(2-chloro-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 55188085
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 70921617

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64753224) is 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(N)(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is NPCVSZAFPMZFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-5-11(2)8-15(18,7-10)9-12-3-4-13(16)6-14(12)17/h3-4,6,10-11H,5,7-9,18H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.69, 2 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]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64753224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).