(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine

C15H23NO2 — CID 155595631

IUPAC(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine
SMILESCCOc1cc([C@@H](C)N)cc(OCC)c1C1CC1
InChIInChI=1S/C15H23NO2/c1-4-17-13-8-12(10(3)16)9-14(18-5-2)15(13)11-6-7-11/h8-11H,4-7,16H2,1-3H3/t10-/m1/s1
InChIKeyJXLKSKKCMVVLEF-SNVBAGLBSA-N
MW249.35 g/mol
LogP3.38
Rot. Bonds6

About (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine

(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine (PubChem CID 155595631) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine
PubChem CID155595631
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine
SMILESCCOc1cc([C@@H](C)N)cc(OCC)c1C1CC1
InChIInChI=1S/C15H23NO2/c1-4-17-13-8-12(10(3)16)9-14(18-5-2)15(13)11-6-7-11/h8-11H,4-7,16H2,1-3H3/t10-/m1/s1
InChIKeyJXLKSKKCMVVLEF-SNVBAGLBSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
1-[3,5-di(butan-2-yl)-4-ethoxyphenyl]ethanamine
CID 3589043
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
3-[(1R)-1-aminoethyl]-5-cyclopropylaniline
CID 164550405
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
CID 106200766
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine (CID 155595631) is (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine is CCOc1cc([C@@H](C)N)cc(OCC)c1C1CC1.
What is the InChIKey of (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine?
The InChIKey is JXLKSKKCMVVLEF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-17-13-8-12(10(3)16)9-14(18-5-2)15(13)11-6-7-11/h8-11H,4-7,16H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine?
(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine is sourced from PubChem (CID 155595631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).