6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol

C21H29NO2 — CID 166197123

IUPAC6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
SMILESCCC(O)CCCNC(C)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C21H29NO2/c1-4-19(23)8-7-15-22-16(2)17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-3/h5-6,9-14,16,19,22-23H,4,7-8,15H2,1-3H3
InChIKeyIPYKQGPUHJDWDJ-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.56
Rot. Bonds9

About 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol

6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol (PubChem CID 166197123) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol.

Molecular Properties

Compound Name6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
PubChem CID166197123
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
SMILESCCC(O)CCCNC(C)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C21H29NO2/c1-4-19(23)8-7-15-22-16(2)17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-3/h5-6,9-14,16,19,22-23H,4,7-8,15H2,1-3H3
InChIKeyIPYKQGPUHJDWDJ-UHFFFAOYSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.56
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

3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 69464607
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859130

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol?
The IUPAC name of 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol (CID 166197123) is 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol.
What is the SMILES notation for 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol?
The canonical SMILES for 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol is CCC(O)CCCNC(C)c1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol?
The InChIKey is IPYKQGPUHJDWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-19(23)8-7-15-22-16(2)17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-3/h5-6,9-14,16,19,22-23H,4,7-8,15H2,1-3H3.
What are the key properties of 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol?
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol has a molecular weight of 327.47 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol is sourced from PubChem (CID 166197123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).