(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 78967085

IUPAC(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCCC(Oc2ccc([C@H](C)N)cc2)C1
InChIInChI=1S/C16H25NO/c1-3-13-5-4-6-16(11-13)18-15-9-7-14(8-10-15)12(2)17/h7-10,12-13,16H,3-6,11,17H2,1-2H3/t12-,13?,16?/m0/s1
InChIKeyNFCWUNHVSWLGHM-FUJMWEONSA-N
MW247.38 g/mol
LogP4.05
Rot. Bonds4

About (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine

(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 78967085) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID78967085
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCCC(Oc2ccc([C@H](C)N)cc2)C1
InChIInChI=1S/C16H25NO/c1-3-13-5-4-6-16(11-13)18-15-9-7-14(8-10-15)12(2)17/h7-10,12-13,16H,3-6,11,17H2,1-2H3/t12-,13?,16?/m0/s1
InChIKeyNFCWUNHVSWLGHM-FUJMWEONSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine (CID 78967085) is (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine is CCC1CCCC(Oc2ccc([C@H](C)N)cc2)C1.
What is the InChIKey of (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is NFCWUNHVSWLGHM-FUJMWEONSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-5-4-6-16(11-13)18-15-9-7-14(8-10-15)12(2)17/h7-10,12-13,16H,3-6,11,17H2,1-2H3/t12-,13?,16?/m0/s1.
What are the key properties of (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine?
(1S)-1-[4-(3-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 (1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 78967085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).