4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol

C14H23NO3 — CID 81135224

IUPAC4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
SMILESCOc1cccc(C(O)CNC(C)CCCO)c1
InChIInChI=1S/C14H23NO3/c1-11(5-4-8-16)15-10-14(17)12-6-3-7-13(9-12)18-2/h3,6-7,9,11,14-17H,4-5,8,10H2,1-2H3
InChIKeyHODFLXNFXYNVCD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.48
Rot. Bonds8

About 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol

4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol (PubChem CID 81135224) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
PubChem CID81135224
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
SMILESCOc1cccc(C(O)CNC(C)CCCO)c1
InChIInChI=1S/C14H23NO3/c1-11(5-4-8-16)15-10-14(17)12-6-3-7-13(9-12)18-2/h3,6-7,9,11,14-17H,4-5,8,10H2,1-2H3
InChIKeyHODFLXNFXYNVCD-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
CID 78966951
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol?
The IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol (CID 81135224) is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol is COc1cccc(C(O)CNC(C)CCCO)c1.
What is the InChIKey of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol?
The InChIKey is HODFLXNFXYNVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(5-4-8-16)15-10-14(17)12-6-3-7-13(9-12)18-2/h3,6-7,9,11,14-17H,4-5,8,10H2,1-2H3.
What are the key properties of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol?
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 81135224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).