2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine

C19H31NO — CID 64745929

IUPAC2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(COC2CCC(C)C(C)C2)NC)cc1
InChIInChI=1S/C19H31NO/c1-5-16-7-9-17(10-8-16)19(20-4)13-21-18-11-6-14(2)15(3)12-18/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyNVYXDDNLSUSSLA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds6

About 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine

2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine (PubChem CID 64745929) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
PubChem CID64745929
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(COC2CCC(C)C(C)C2)NC)cc1
InChIInChI=1S/C19H31NO/c1-5-16-7-9-17(10-8-16)19(20-4)13-21-18-11-6-14(2)15(3)12-18/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyNVYXDDNLSUSSLA-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine (CID 64745929) is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(C(COC2CCC(C)C(C)C2)NC)cc1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is NVYXDDNLSUSSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-16-7-9-17(10-8-16)19(20-4)13-21-18-11-6-14(2)15(3)12-18/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 64745929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).