2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol

C13H20FNO — CID 82315086

IUPAC2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
SMILESCCNC(CC)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO/c1-4-12(15-5-2)13(16)10-6-7-11(14)9(3)8-10/h6-8,12-13,15-16H,4-5H2,1-3H3
InChIKeyJKGXANOXKQZRFP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.56
Rot. Bonds5

About 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol

2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol (PubChem CID 82315086) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
PubChem CID82315086
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
SMILESCCNC(CC)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO/c1-4-12(15-5-2)13(16)10-6-7-11(14)9(3)8-10/h6-8,12-13,15-16H,4-5H2,1-3H3
InChIKeyJKGXANOXKQZRFP-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
CID 82315100
N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
CID 79747552
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190181
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
(4-fluoro-3-methylphenyl)methanediol
CID 45090626

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol (CID 82315086) is 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol is CCNC(CC)C(O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol?
The InChIKey is JKGXANOXKQZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-12(15-5-2)13(16)10-6-7-11(14)9(3)8-10/h6-8,12-13,15-16H,4-5H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol?
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol is sourced from PubChem (CID 82315086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).