[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium

C17H30NO4+ — CID 7998347

IUPAC[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium
SMILESCCc1cccc(OC[C@H](O)C[NH+](CCOC)CCOC)c1
InChIInChI=1S/C17H29NO4/c1-4-15-6-5-7-17(12-15)22-14-16(19)13-18(8-10-20-2)9-11-21-3/h5-7,12,16,19H,4,8-11,13-14H2,1-3H3/p+1/t16-/m1/s1
InChIKeyKKYYGSMEKXEFPH-MRXNPFEDSA-O
MW312.43 g/mol
LogP0.17
Rot. Bonds12

About [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium

[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium (PubChem CID 7998347) has the molecular formula C17H30NO4+ and a molecular weight of 312.43 g/mol. Its IUPAC name is [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium
PubChem CID7998347
Molecular FormulaC17H30NO4+
Molecular Weight312.43 g/mol
Exact Mass312.22
IUPAC Name[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium
SMILESCCc1cccc(OC[C@H](O)C[NH+](CCOC)CCOC)c1
InChIInChI=1S/C17H29NO4/c1-4-15-6-5-7-17(12-15)22-14-16(19)13-18(8-10-20-2)9-11-21-3/h5-7,12,16,19H,4,8-11,13-14H2,1-3H3/p+1/t16-/m1/s1
InChIKeyKKYYGSMEKXEFPH-MRXNPFEDSA-O
XLogP0.17
TPSA52.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
benzyl-(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]azanium
CID 2046874
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium?
The IUPAC name of [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium (CID 7998347) is [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium.
What is the SMILES notation for [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium?
The canonical SMILES for [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium is CCc1cccc(OC[C@H](O)C[NH+](CCOC)CCOC)c1.
What is the InChIKey of [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium?
The InChIKey is KKYYGSMEKXEFPH-MRXNPFEDSA-O. The full InChI is InChI=1S/C17H29NO4/c1-4-15-6-5-7-17(12-15)22-14-16(19)13-18(8-10-20-2)9-11-21-3/h5-7,12,16,19H,4,8-11,13-14H2,1-3H3/p+1/t16-/m1/s1.
What are the key properties of [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium?
[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium has a molecular weight of 312.43 g/mol, XLogP of 0.17, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-bis(2-methoxyethyl)azanium is sourced from PubChem (CID 7998347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).