cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine

C16H25NO — CID 10988624

IUPACcis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
SMILESCCO[C@H]1CCCC[C@H]1N[C@H](C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-18-16-12-8-7-11-15(16)17-13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15-17H,3,7-8,11-12H2,1-2H3/t13-,15-,16+/m1/s1
InChIKeySVDJOMVBRNRAIY-BMFZPTHFSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds5

About cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine

cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine (PubChem CID 10988624) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
PubChem CID10988624
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namecis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
SMILESCCO[C@H]1CCCC[C@H]1N[C@H](C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-18-16-12-8-7-11-15(16)17-13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15-17H,3,7-8,11-12H2,1-2H3/t13-,15-,16+/m1/s1
InChIKeySVDJOMVBRNRAIY-BMFZPTHFSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
CID 141266125
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid
CID 11426718
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine (CID 10988624) is cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine is CCO[C@H]1CCCC[C@H]1N[C@H](C)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
The InChIKey is SVDJOMVBRNRAIY-BMFZPTHFSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-18-16-12-8-7-11-15(16)17-13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15-17H,3,7-8,11-12H2,1-2H3/t13-,15-,16+/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine is sourced from PubChem (CID 10988624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).