(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine

C17H27NO — CID 78953333

IUPAC(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
SMILESCCC1CCCCC1Oc1cc(C)ccc1[C@H](C)N
InChIInChI=1S/C17H27NO/c1-4-14-7-5-6-8-16(14)19-17-11-12(2)9-10-15(17)13(3)18/h9-11,13-14,16H,4-8,18H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyWYBIVQUGPFEVHZ-HLIUYOAVSA-N
MW261.41 g/mol
LogP4.36
Rot. Bonds4

About (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine

(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine (PubChem CID 78953333) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
PubChem CID78953333
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
SMILESCCC1CCCCC1Oc1cc(C)ccc1[C@H](C)N
InChIInChI=1S/C17H27NO/c1-4-14-7-5-6-8-16(14)19-17-11-12(2)9-10-15(17)13(3)18/h9-11,13-14,16H,4-8,18H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyWYBIVQUGPFEVHZ-HLIUYOAVSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
CID 102948860
[2-(2-ethylcyclohexyl)oxy-5-methylphenyl]methanol
CID 55251780
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
1-[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]ethanamine
CID 114056592
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol
CID 112745865

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine (CID 78953333) is (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine is CCC1CCCCC1Oc1cc(C)ccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine?
The InChIKey is WYBIVQUGPFEVHZ-HLIUYOAVSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-7-5-6-8-16(14)19-17-11-12(2)9-10-15(17)13(3)18/h9-11,13-14,16H,4-8,18H2,1-3H3/t13-,14?,16?/m0/s1.
What are the key properties of (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine?
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine is sourced from PubChem (CID 78953333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).