3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol

C12H18FNO — CID 65234936

IUPAC3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
SMILESCCNC(CCO)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-3-14-12(6-7-15)10-5-4-9(2)11(13)8-10/h4-5,8,12,14-15H,3,6-7H2,1-2H3
InChIKeyVDTHXUDZMAEWSR-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.17
Rot. Bonds5

About 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol

3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol (PubChem CID 65234936) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
PubChem CID65234936
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
SMILESCCNC(CCO)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-3-14-12(6-7-15)10-5-4-9(2)11(13)8-10/h4-5,8,12,14-15H,3,6-7H2,1-2H3
InChIKeyVDTHXUDZMAEWSR-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358486

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol (CID 65234936) is 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol is CCNC(CCO)c1ccc(C)c(F)c1.
What is the InChIKey of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol?
The InChIKey is VDTHXUDZMAEWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-14-12(6-7-15)10-5-4-9(2)11(13)8-10/h4-5,8,12,14-15H,3,6-7H2,1-2H3.
What are the key properties of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol?
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65234936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).