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

C15H21Cl2N — CID 79834366

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-14(2)7-3-4-8-15(14,18)10-11-5-6-12(16)13(17)9-11/h5-6,9H,3-4,7-8,10,18H2,1-2H3
InChIKeyQIZJCGJBCHKRCT-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.83
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834366) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79834366
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-14(2)7-3-4-8-15(14,18)10-11-5-6-12(16)13(17)9-11/h5-6,9H,3-4,7-8,10,18H2,1-2H3
InChIKeyQIZJCGJBCHKRCT-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79857689
1-benzyl-2,2-dimethylcyclohexan-1-amine
CID 79836797
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 63408298
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 94697451
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-one
CID 116538466
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79834366) is 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is QIZJCGJBCHKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-14(2)7-3-4-8-15(14,18)10-11-5-6-12(16)13(17)9-11/h5-6,9H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).