1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine

C15H21Cl2N — CID 53323814

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine
SMILESCNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyZJNJPYFFMXVAGY-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.80
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine (PubChem CID 53323814) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine
PubChem CID53323814
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine
SMILESCNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyZJNJPYFFMXVAGY-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine (CID 53323814) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine is CNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine?
The InChIKey is ZJNJPYFFMXVAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine has a molecular weight of 286.25 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 53323814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).