(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 78999303

IUPAC(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCC(Oc2ccccc2[C@@H](C)N)CC1
InChIInChI=1S/C16H25NO/c1-3-13-8-10-14(11-9-13)18-16-7-5-4-6-15(16)12(2)17/h4-7,12-14H,3,8-11,17H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyPNINAZZOIQBEJQ-IYXRBSQSSA-N
MW247.38 g/mol
LogP4.05
Rot. Bonds4

About (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine

(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 78999303) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID78999303
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCC(Oc2ccccc2[C@@H](C)N)CC1
InChIInChI=1S/C16H25NO/c1-3-13-8-10-14(11-9-13)18-16-7-5-4-6-15(16)12(2)17/h4-7,12-14H,3,8-11,17H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyPNINAZZOIQBEJQ-IYXRBSQSSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
CID 64750411
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
CID 146621005

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine (CID 78999303) is (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine is CCC1CCC(Oc2ccccc2[C@@H](C)N)CC1.
What is the InChIKey of (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is PNINAZZOIQBEJQ-IYXRBSQSSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-8-10-14(11-9-13)18-16-7-5-4-6-15(16)12(2)17/h4-7,12-14H,3,8-11,17H2,1-2H3/t12-,13?,14?/m1/s1.
What are the key properties of (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 78999303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).