1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine

C17H26ClNO — CID 116767179

IUPAC1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(Cl)cc2)CCC(C)CC1
InChIInChI=1S/C17H26ClNO/c1-4-20-17(11-9-13(2)10-12-17)16(19-3)14-5-7-15(18)8-6-14/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyZOVUOQZQDXUDMX-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine

1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116767179) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
PubChem CID116767179
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(Cl)cc2)CCC(C)CC1
InChIInChI=1S/C17H26ClNO/c1-4-20-17(11-9-13(2)10-12-17)16(19-3)14-5-7-15(18)8-6-14/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyZOVUOQZQDXUDMX-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 116767095
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277877
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 106654643
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine (CID 116767179) is 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine is CCOC1(C(NC)c2ccc(Cl)cc2)CCC(C)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is ZOVUOQZQDXUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-20-17(11-9-13(2)10-12-17)16(19-3)14-5-7-15(18)8-6-14/h5-8,13,16,19H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116767179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).