(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 64744791

IUPAC(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2ccccc2[C@@H](C)N)CC1C
InChIInChI=1S/C16H25NO/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14H,8-10,17H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyJVJYJDSANKUTGM-WCFLAILDSA-N
MW247.38 g/mol
LogP3.91
Rot. Bonds3

About (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine

(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64744791) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64744791
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2ccccc2[C@@H](C)N)CC1C
InChIInChI=1S/C16H25NO/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14H,8-10,17H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyJVJYJDSANKUTGM-WCFLAILDSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 64738388
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine (CID 64744791) is (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine is CC1CCC(Oc2ccccc2[C@@H](C)N)CC1C.
What is the InChIKey of (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is JVJYJDSANKUTGM-WCFLAILDSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14H,8-10,17H2,1-3H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64744791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).