(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine

C12H19NO2 — CID 70653682

IUPAC(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
SMILESCCc1cccc(OC[C@H](CN)OC)c1
InChIInChI=1S/C12H19NO2/c1-3-10-5-4-6-11(7-10)15-9-12(8-13)14-2/h4-7,12H,3,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyXKUPFCCEAQQJDN-LBPRGKRZSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds6

About (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine

(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine (PubChem CID 70653682) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
PubChem CID70653682
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
SMILESCCc1cccc(OC[C@H](CN)OC)c1
InChIInChI=1S/C12H19NO2/c1-3-10-5-4-6-11(7-10)15-9-12(8-13)14-2/h4-7,12H,3,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyXKUPFCCEAQQJDN-LBPRGKRZSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
3-(3-fluorophenoxy)-2-methoxypropan-1-amine
CID 105452028
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
2-methoxy-4-(3-methoxyphenyl)butan-1-amine
CID 105463202
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
CID 63069680
2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol
CID 14992307
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine?
The IUPAC name of (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine (CID 70653682) is (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine.
What is the SMILES notation for (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine?
The canonical SMILES for (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine is CCc1cccc(OC[C@H](CN)OC)c1.
What is the InChIKey of (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine?
The InChIKey is XKUPFCCEAQQJDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-10-5-4-6-11(7-10)15-9-12(8-13)14-2/h4-7,12H,3,8-9,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine?
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine is sourced from PubChem (CID 70653682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).