N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine

C19H31NO — CID 64747468

IUPACN-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
SMILESCCNC(C)c1cc(C)ccc1OC1CCC(CC)CC1
InChIInChI=1S/C19H31NO/c1-5-16-8-10-17(11-9-16)21-19-12-7-14(3)13-18(19)15(4)20-6-2/h7,12-13,15-17,20H,5-6,8-11H2,1-4H3
InChIKeyLYWMIAWVCYDUTP-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.01
Rot. Bonds6

About N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine

N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine (PubChem CID 64747468) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
PubChem CID64747468
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
SMILESCCNC(C)c1cc(C)ccc1OC1CCC(CC)CC1
InChIInChI=1S/C19H31NO/c1-5-16-8-10-17(11-9-16)21-19-12-7-14(3)13-18(19)15(4)20-6-2/h7,12-13,15-17,20H,5-6,8-11H2,1-4H3
InChIKeyLYWMIAWVCYDUTP-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]cyclopentan-1-ol
CID 60889044
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone
CID 64748296
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 82953599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine (CID 64747468) is N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine is CCNC(C)c1cc(C)ccc1OC1CCC(CC)CC1.
What is the InChIKey of N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine?
The InChIKey is LYWMIAWVCYDUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-16-8-10-17(11-9-16)21-19-12-7-14(3)13-18(19)15(4)20-6-2/h7,12-13,15-17,20H,5-6,8-11H2,1-4H3.
What are the key properties of N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine?
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine is sourced from PubChem (CID 64747468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).