3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol

C14H23NO3 — CID 83176233

IUPAC3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
SMILESCc1cccc(OCC(O)CNC(C)CCO)c1
InChIInChI=1S/C14H23NO3/c1-11-4-3-5-14(8-11)18-10-13(17)9-15-12(2)6-7-16/h3-5,8,12-13,15-17H,6-7,9-10H2,1-2H3
InChIKeyRYLSYKNXWIBEGE-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.10
Rot. Bonds8

About 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol

3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol (PubChem CID 83176233) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
PubChem CID83176233
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
SMILESCc1cccc(OCC(O)CNC(C)CCO)c1
InChIInChI=1S/C14H23NO3/c1-11-4-3-5-14(8-11)18-10-13(17)9-15-12(2)6-7-16/h3-5,8,12-13,15-17H,6-7,9-10H2,1-2H3
InChIKeyRYLSYKNXWIBEGE-UHFFFAOYSA-N
XLogP1.10
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
4-[2-hydroxy-3-(4-hydroxybutan-2-ylamino)propoxy]benzonitrile
CID 83176338
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 75382914
1-(3-methylphenoxy)butan-2-ol
CID 13089920
3-[2-hydroxy-3-(4-methoxybutan-2-ylamino)propoxy]benzonitrile
CID 64604865
1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol (CID 83176233) is 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol is Cc1cccc(OCC(O)CNC(C)CCO)c1.
What is the InChIKey of 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol?
The InChIKey is RYLSYKNXWIBEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-4-3-5-14(8-11)18-10-13(17)9-15-12(2)6-7-16/h3-5,8,12-13,15-17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol?
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol is sourced from PubChem (CID 83176233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).