1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine

C14H19Cl2NO — CID 107307001

IUPAC1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine
SMILESNC1(COCc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C14H19Cl2NO/c15-12-6-4-5-11(13(12)16)9-18-10-14(17)7-2-1-3-8-14/h4-6H,1-3,7-10,17H2
InChIKeyYOGVQMJMUXUHLX-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.17
Rot. Bonds4

About 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine

1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine (PubChem CID 107307001) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine
PubChem CID107307001
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine
SMILESNC1(COCc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C14H19Cl2NO/c15-12-6-4-5-11(13(12)16)9-18-10-14(17)7-2-1-3-8-14/h4-6H,1-3,7-10,17H2
InChIKeyYOGVQMJMUXUHLX-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine (CID 107307001) is 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine is NC1(COCc2cccc(Cl)c2Cl)CCCCC1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine?
The InChIKey is YOGVQMJMUXUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-12-6-4-5-11(13(12)16)9-18-10-14(17)7-2-1-3-8-14/h4-6H,1-3,7-10,17H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine?
1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 107307001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).