1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

C14H23NO2 — CID 4728846

IUPAC1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNCC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(2)8-15-9-13(16)10-17-14-6-4-5-12(3)7-14/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyGOLRMULURISJFO-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 4728846) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID4728846
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNCC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(2)8-15-9-13(16)10-17-14-6-4-5-12(3)7-14/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyGOLRMULURISJFO-UHFFFAOYSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 70414430
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
1-(3-methylphenoxy)butan-2-ol
CID 13089920
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 4728846) is 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is Cc1cccc(OCC(O)CNCC(C)C)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is GOLRMULURISJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)8-15-9-13(16)10-17-14-6-4-5-12(3)7-14/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 4728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).