cyclohexyl-(3,5-dichlorophenyl)methanamine

C13H17Cl2N — CID 114981427

IUPACcyclohexyl-(3,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H17Cl2N/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2
InChIKeyYZKYIQYQLVANCZ-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.57
Rot. Bonds2

About cyclohexyl-(3,5-dichlorophenyl)methanamine

cyclohexyl-(3,5-dichlorophenyl)methanamine (PubChem CID 114981427) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is cyclohexyl-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(3,5-dichlorophenyl)methanamine
PubChem CID114981427
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Namecyclohexyl-(3,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H17Cl2N/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2
InChIKeyYZKYIQYQLVANCZ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
cyclohexyl-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503026
2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
CID 115847384
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,5-dichlorophenyl)methanamine?
The IUPAC name of cyclohexyl-(3,5-dichlorophenyl)methanamine (CID 114981427) is cyclohexyl-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for cyclohexyl-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for cyclohexyl-(3,5-dichlorophenyl)methanamine is NC(c1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3,5-dichlorophenyl)methanamine?
The InChIKey is YZKYIQYQLVANCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2.
What are the key properties of cyclohexyl-(3,5-dichlorophenyl)methanamine?
cyclohexyl-(3,5-dichlorophenyl)methanamine has a molecular weight of 258.19 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 114981427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).