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

C15H21Cl2N — CID 65317057

IUPAC1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-14(2)6-3-7-15(18,10-14)9-11-8-12(16)4-5-13(11)17/h4-5,8H,3,6-7,9-10,18H2,1-2H3
InChIKeyRSLKFHZYLZAYBN-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.83
Rot. Bonds2

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

1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 65317057) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID65317057
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-14(2)6-3-7-15(18,10-14)9-11-8-12(16)4-5-13(11)17/h4-5,8H,3,6-7,9-10,18H2,1-2H3
InChIKeyRSLKFHZYLZAYBN-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-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
CID 65317527
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
3-[(2,5-dichlorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 115338085
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 105403031
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65477877

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine (CID 65317057) is 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine is CC1(C)CCCC(N)(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is RSLKFHZYLZAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-14(2)6-3-7-15(18,10-14)9-11-8-12(16)4-5-13(11)17/h4-5,8H,3,6-7,9-10,18H2,1-2H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
1-[(2,5-dichlorophenyl)methyl]-3,3-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-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65317057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).