2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine

C17H27NO2 — CID 64773825

IUPAC2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OC1CCC(C)CC1
InChIInChI=1S/C17H27NO2/c1-3-19-17-12-14(10-11-18)6-9-16(17)20-15-7-4-13(2)5-8-15/h6,9,12-13,15H,3-5,7-8,10-11,18H2,1-2H3
InChIKeySWHGRKAZSLZBGS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds6

About 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine

2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64773825) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64773825
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OC1CCC(C)CC1
InChIInChI=1S/C17H27NO2/c1-3-19-17-12-14(10-11-18)6-9-16(17)20-15-7-4-13(2)5-8-15/h6,9,12-13,15H,3-5,7-8,10-11,18H2,1-2H3
InChIKeySWHGRKAZSLZBGS-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
CID 170888196
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
1,2-diethoxy-4-propylbenzene
CID 3995471
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 79887676

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine (CID 64773825) is 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine is CCOc1cc(CCN)ccc1OC1CCC(C)CC1.
What is the InChIKey of 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is SWHGRKAZSLZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-17-12-14(10-11-18)6-9-16(17)20-15-7-4-13(2)5-8-15/h6,9,12-13,15H,3-5,7-8,10-11,18H2,1-2H3.
What are the key properties of 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64773825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).