[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine

C14H19Cl2NO — CID 68675540

IUPAC[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2NO/c1-18-11-4-6-14(9-17,7-5-11)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9,17H2,1H3
InChIKeyIVNJJWQEULKUKJ-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.78
Rot. Bonds3

About [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine

[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine (PubChem CID 68675540) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine
PubChem CID68675540
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2NO/c1-18-11-4-6-14(9-17,7-5-11)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9,17H2,1H3
InChIKeyIVNJJWQEULKUKJ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine (CID 68675540) is [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine is COC1CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine?
The InChIKey is IVNJJWQEULKUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-18-11-4-6-14(9-17,7-5-11)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9,17H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine?
[1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine has a molecular weight of 288.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-4-methoxycyclohexyl]methanamine is sourced from PubChem (CID 68675540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).