2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine

C20H25NO — CID 83973421

IUPAC2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
SMILESNCC(c1cccc(Oc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C20H25NO/c21-15-20(16-8-3-1-4-9-16)17-10-7-13-19(14-17)22-18-11-5-2-6-12-18/h2,5-7,10-14,16,20H,1,3-4,8-9,15,21H2
InChIKeyRFIWFGGAZYGYBL-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.10
Rot. Bonds5

About 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine

2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine (PubChem CID 83973421) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
PubChem CID83973421
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
SMILESNCC(c1cccc(Oc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C20H25NO/c21-15-20(16-8-3-1-4-9-16)17-10-7-13-19(14-17)22-18-11-5-2-6-12-18/h2,5-7,10-14,16,20H,1,3-4,8-9,15,21H2
InChIKeyRFIWFGGAZYGYBL-UHFFFAOYSA-N
XLogP5.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181
2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973250
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine (CID 83973421) is 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine is NCC(c1cccc(Oc2ccccc2)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine?
The InChIKey is RFIWFGGAZYGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c21-15-20(16-8-3-1-4-9-16)17-10-7-13-19(14-17)22-18-11-5-2-6-12-18/h2,5-7,10-14,16,20H,1,3-4,8-9,15,21H2.
What are the key properties of 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine?
2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine has a molecular weight of 295.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine is sourced from PubChem (CID 83973421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).