3-(1-phenylhexylamino)propane-1,2-diol

C15H25NO2 — CID 66176548

IUPAC3-(1-phenylhexylamino)propane-1,2-diol
SMILESCCCCCC(NCC(O)CO)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-2-3-5-10-15(16-11-14(18)12-17)13-8-6-4-7-9-13/h4,6-9,14-18H,2-3,5,10-12H2,1H3
InChIKeyAFFHZSFHBRYSTD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.25
Rot. Bonds9

About 3-(1-phenylhexylamino)propane-1,2-diol

3-(1-phenylhexylamino)propane-1,2-diol (PubChem CID 66176548) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(1-phenylhexylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-phenylhexylamino)propane-1,2-diol
PubChem CID66176548
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(1-phenylhexylamino)propane-1,2-diol
SMILESCCCCCC(NCC(O)CO)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-2-3-5-10-15(16-11-14(18)12-17)13-8-6-4-7-9-13/h4,6-9,14-18H,2-3,5,10-12H2,1H3
InChIKeyAFFHZSFHBRYSTD-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
(2R)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]heptan-2-ol;methyl formate
CID 153393632
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-methoxy-1-phenylhexan-1-amine
CID 82707077
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
N-(2-methoxypropyl)-1-phenylpentan-1-amine
CID 102696616
1-(1-phenylpropylamino)butan-2-ol
CID 62305218

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylhexylamino)propane-1,2-diol?
The IUPAC name of 3-(1-phenylhexylamino)propane-1,2-diol (CID 66176548) is 3-(1-phenylhexylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-phenylhexylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-phenylhexylamino)propane-1,2-diol is CCCCCC(NCC(O)CO)c1ccccc1.
What is the InChIKey of 3-(1-phenylhexylamino)propane-1,2-diol?
The InChIKey is AFFHZSFHBRYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-5-10-15(16-11-14(18)12-17)13-8-6-4-7-9-13/h4,6-9,14-18H,2-3,5,10-12H2,1H3.
What are the key properties of 3-(1-phenylhexylamino)propane-1,2-diol?
3-(1-phenylhexylamino)propane-1,2-diol has a molecular weight of 251.37 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylhexylamino)propane-1,2-diol is sourced from PubChem (CID 66176548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).