1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol

C14H23NO2 — CID 78967072

IUPAC1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
SMILESCCCC(C)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-6-11(2)15-10-14(16)12-7-5-8-13(9-12)17-3/h5,7-9,11,14-16H,4,6,10H2,1-3H3
InChIKeyKDBKVQUGZPAXTL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol

1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol (PubChem CID 78967072) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
PubChem CID78967072
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
SMILESCCCC(C)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-6-11(2)15-10-14(16)12-7-5-8-13(9-12)17-3/h5,7-9,11,14-16H,4,6,10H2,1-3H3
InChIKeyKDBKVQUGZPAXTL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
CID 78966951
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol (CID 78967072) is 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol is CCCC(C)NCC(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol?
The InChIKey is KDBKVQUGZPAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-11(2)15-10-14(16)12-7-5-8-13(9-12)17-3/h5,7-9,11,14-16H,4,6,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol?
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol is sourced from PubChem (CID 78967072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).