1-(hexan-2-ylamino)-3-phenoxypropan-2-ol

C15H25NO2 — CID 54196507

IUPAC1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
SMILESCCCCC(C)NCC(O)COc1ccccc1
InChIInChI=1S/C15H25NO2/c1-3-4-8-13(2)16-11-14(17)12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,3-4,8,11-12H2,1-2H3
InChIKeyZHECLMRATFZYBD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds9

About 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol

1-(hexan-2-ylamino)-3-phenoxypropan-2-ol (PubChem CID 54196507) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
PubChem CID54196507
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
SMILESCCCCC(C)NCC(O)COc1ccccc1
InChIInChI=1S/C15H25NO2/c1-3-4-8-13(2)16-11-14(17)12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,3-4,8,11-12H2,1-2H3
InChIKeyZHECLMRATFZYBD-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol 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

1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
1-(4-chlorophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635716
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide
CID 67905497
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-phenoxyheptan-2-ol
CID 12731443
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol (CID 54196507) is 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol is CCCCC(C)NCC(O)COc1ccccc1.
What is the InChIKey of 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol?
The InChIKey is ZHECLMRATFZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-8-13(2)16-11-14(17)12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol?
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-2-ylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 54196507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).