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

C13H17Cl2N — CID 83262000

IUPAC4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N/c14-12-6-3-10(8-13(12)15)7-9-1-4-11(16)5-2-9/h3,6,8-9,11H,1-2,4-5,7,16H2
InChIKeyXXBNQBXARUWOGJ-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.05
Rot. Bonds2

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

4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 83262000) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID83262000
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N/c14-12-6-3-10(8-13(12)15)7-9-1-4-11(16)5-2-9/h3,6,8-9,11H,1-2,4-5,7,16H2
InChIKeyXXBNQBXARUWOGJ-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 10848723
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 10756681
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926287
4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
CID 7375018
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461674

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine (CID 83262000) is 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine is NC1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is XXBNQBXARUWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-12-6-3-10(8-13(12)15)7-9-1-4-11(16)5-2-9/h3,6,8-9,11H,1-2,4-5,7,16H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine?
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 83262000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).