3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol

C14H23NO3 — CID 64805164

IUPAC3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)COc1ccc(C)cc1OC
InChIInChI=1S/C14H23NO3/c1-4-7-15-12(9-16)10-18-13-6-5-11(2)8-14(13)17-3/h5-6,8,12,15-16H,4,7,9-10H2,1-3H3
InChIKeyJWEFHJPOXOTXGN-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.74
Rot. Bonds8

About 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol

3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol (PubChem CID 64805164) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
PubChem CID64805164
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)COc1ccc(C)cc1OC
InChIInChI=1S/C14H23NO3/c1-4-7-15-12(9-16)10-18-13-6-5-11(2)8-14(13)17-3/h5-6,8,12,15-16H,4,7,9-10H2,1-3H3
InChIKeyJWEFHJPOXOTXGN-UHFFFAOYSA-N
XLogP1.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
CID 64804340
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
(2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-1-ol
CID 97356999
3-(2-phenylphenoxy)-2-(propylamino)propan-1-ol
CID 64802633
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803102
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol (CID 64805164) is 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol is CCCNC(CO)COc1ccc(C)cc1OC.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol?
The InChIKey is JWEFHJPOXOTXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-7-15-12(9-16)10-18-13-6-5-11(2)8-14(13)17-3/h5-6,8,12,15-16H,4,7,9-10H2,1-3H3.
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol?
3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64805164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).