1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine

C15H21Cl2NO — CID 122473355

IUPAC1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCC(OC)C1
InChIInChI=1S/C15H21Cl2NO/c1-18-10-15(7-3-4-12(9-15)19-2)11-5-6-13(16)14(17)8-11/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeySBKALFWROFTZSP-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.04
Rot. Bonds4

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

1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine (PubChem CID 122473355) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine
PubChem CID122473355
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCC(OC)C1
InChIInChI=1S/C15H21Cl2NO/c1-18-10-15(7-3-4-12(9-15)19-2)11-5-6-13(16)14(17)8-11/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeySBKALFWROFTZSP-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 24802842
6-(3,4-Dichlorophenyl)-1-[1-(methyloxy)-3-buten-1-YL]-3-azabicyclo[4.1.0]heptane (diastereomeric mix)
CID 49799108
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025581
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(propoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025776
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(propan-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025782
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(propan-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025977
(1R,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 45378248
Exo-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 45379828
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(propoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 45379949
(1S,5S,6S)-6-(cyclohexyloxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 45380065
Gsk-1360707
CID 24802841
(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
CID 46866510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine (CID 122473355) is 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine is CNCC1(c2ccc(Cl)c(Cl)c2)CCCC(OC)C1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine?
The InChIKey is SBKALFWROFTZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-18-10-15(7-3-4-12(9-15)19-2)11-5-6-13(16)14(17)8-11/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine?
1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine has a molecular weight of 302.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 122473355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).