1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol

C23H33NO2 — CID 175328692

IUPAC1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol
SMILESCCCCCC(O)C(CN(C)C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H33NO2/c1-4-5-7-12-23(25)22(17-24(2)3)20-13-15-21(16-14-20)26-18-19-10-8-6-9-11-19/h6,8-11,13-16,22-23,25H,4-5,7,12,17-18H2,1-3H3
InChIKeyYCCNCXCBSLPRGM-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.85
Rot. Bonds11

About 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol

1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol (PubChem CID 175328692) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol
PubChem CID175328692
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol
SMILESCCCCCC(O)C(CN(C)C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H33NO2/c1-4-5-7-12-23(25)22(17-24(2)3)20-13-15-21(16-14-20)26-18-19-10-8-6-9-11-19/h6,8-11,13-16,22-23,25H,4-5,7,12,17-18H2,1-3H3
InChIKeyYCCNCXCBSLPRGM-UHFFFAOYSA-N
XLogP4.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
1-hydroxyheptyl 4-phenylmethoxybenzoate
CID 141216856
phenoxymethylbenzene;tetradecane
CID 175006528
octan-3-yl 2-(4-phenylmethoxyphenyl)propanoate
CID 150364577
[(2R)-octan-2-yl] 4-phenylmethoxybenzoate
CID 139762634
(1,1,1-trifluoro-3-hydroxynonan-2-yl) 4-phenylmethoxybenzoate
CID 139665002
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
CID 10982342
3-methyloctan-2-one;1-(4-phenylmethoxyphenyl)propan-2-one
CID 142081046
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol?
The IUPAC name of 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol (CID 175328692) is 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol.
What is the SMILES notation for 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol?
The canonical SMILES for 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol is CCCCCC(O)C(CN(C)C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol?
The InChIKey is YCCNCXCBSLPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-4-5-7-12-23(25)22(17-24(2)3)20-13-15-21(16-14-20)26-18-19-10-8-6-9-11-19/h6,8-11,13-16,22-23,25H,4-5,7,12,17-18H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol?
1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol has a molecular weight of 355.52 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(4-phenylmethoxyphenyl)octan-3-ol is sourced from PubChem (CID 175328692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).