2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol

C17H29NO2 — CID 64809795

IUPAC2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol
SMILESCCCCCCC(C)OCC(N)(CO)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-3-4-5-7-10-15(2)20-14-17(18,13-19)16-11-8-6-9-12-16/h6,8-9,11-12,15,19H,3-5,7,10,13-14,18H2,1-2H3
InChIKeyGPRGMJUXAZFQCG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.21
Rot. Bonds10

About 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol

2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol (PubChem CID 64809795) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol
PubChem CID64809795
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol
SMILESCCCCCCC(C)OCC(N)(CO)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-3-4-5-7-10-15(2)20-14-17(18,13-19)16-11-8-6-9-12-16/h6,8-9,11-12,15,19H,3-5,7,10,13-14,18H2,1-2H3
InChIKeyGPRGMJUXAZFQCG-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
CID 102983991
2-amino-2-phenylpentan-1-ol
CID 61056433
2-amino-3-pentan-2-yloxy-2-phenylpropanamide
CID 102984296
1-decan-2-yloxyethylbenzene
CID 102455455
CID 57376593
CID 57376593
nonadecan-2-yl benzenesulfonate
CID 140728103
3-ethoxy-1,1,1-triphenyltridecane-2,2-diol
CID 67840227
octan-2-yloxymethanol
CID 57306212
decan-2-yloxybenzene
CID 12838331
(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120
(6-ethoxy-1,1-diphenylheptyl)benzene
CID 175940887
3-ethyl-3-phenyltricosan-4-amine
CID 21316172

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol (CID 64809795) is 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol is CCCCCCC(C)OCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol?
The InChIKey is GPRGMJUXAZFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-7-10-15(2)20-14-17(18,13-19)16-11-8-6-9-12-16/h6,8-9,11-12,15,19H,3-5,7,10,13-14,18H2,1-2H3.
What are the key properties of 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol?
2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol is sourced from PubChem (CID 64809795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).