1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

C16H24ClNO — CID 116767849

IUPAC1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H24ClNO/c1-12-7-6-10-16(11-12,19-3)15(18-2)13-8-4-5-9-14(13)17/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3
InChIKeyJWKFMWPLYIPFPX-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116767849) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID116767849
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H24ClNO/c1-12-7-6-10-16(11-12,19-3)15(18-2)13-8-4-5-9-14(13)17/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3
InChIKeyJWKFMWPLYIPFPX-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768334
[(2-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105276997
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
[(4-chlorophenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277509
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 114661992
[2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 107312803
1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 116767849) is 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is CNC(c1ccccc1Cl)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is JWKFMWPLYIPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-7-6-10-16(11-12,19-3)15(18-2)13-8-4-5-9-14(13)17/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116767849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).