(2R)-1-(3,5-diethoxyphenyl)propan-2-amine

C13H21NO2 — CID 139743645

IUPAC(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
SMILESCCOc1cc(C[C@@H](C)N)cc(OCC)c1
InChIInChI=1S/C13H21NO2/c1-4-15-12-7-11(6-10(3)14)8-13(9-12)16-5-2/h7-10H,4-6,14H2,1-3H3/t10-/m1/s1
InChIKeyHYTVBZCWJNEFJQ-SNVBAGLBSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds6

About (2R)-1-(3,5-diethoxyphenyl)propan-2-amine

(2R)-1-(3,5-diethoxyphenyl)propan-2-amine (PubChem CID 139743645) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-1-(3,5-diethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
PubChem CID139743645
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
SMILESCCOc1cc(C[C@@H](C)N)cc(OCC)c1
InChIInChI=1S/C13H21NO2/c1-4-15-12-7-11(6-10(3)14)8-13(9-12)16-5-2/h7-10H,4-6,14H2,1-3H3/t10-/m1/s1
InChIKeyHYTVBZCWJNEFJQ-SNVBAGLBSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-[(3,5-diethoxyphenyl)methyl]propanedinitrile
CID 87087174
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
3,5-diethoxyaniline
CID 22605063
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-diethoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3,5-diethoxyphenyl)propan-2-amine (CID 139743645) is (2R)-1-(3,5-diethoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3,5-diethoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3,5-diethoxyphenyl)propan-2-amine is CCOc1cc(C[C@@H](C)N)cc(OCC)c1.
What is the InChIKey of (2R)-1-(3,5-diethoxyphenyl)propan-2-amine?
The InChIKey is HYTVBZCWJNEFJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-15-12-7-11(6-10(3)14)8-13(9-12)16-5-2/h7-10H,4-6,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(3,5-diethoxyphenyl)propan-2-amine?
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-diethoxyphenyl)propan-2-amine is sourced from PubChem (CID 139743645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).