N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine

C15H24FN — CID 79747552

IUPACN,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
SMILESCCNC(c1ccc(F)c(C)c1)C(CC)CC
InChIInChI=1S/C15H24FN/c1-5-12(6-2)15(17-7-3)13-8-9-14(16)11(4)10-13/h8-10,12,15,17H,5-7H2,1-4H3
InChIKeyFQYYMINLXAKKIJ-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.22
Rot. Bonds6

About N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine

N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine (PubChem CID 79747552) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
PubChem CID79747552
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
SMILESCCNC(c1ccc(F)c(C)c1)C(CC)CC
InChIInChI=1S/C15H24FN/c1-5-12(6-2)15(17-7-3)13-8-9-14(16)11(4)10-13/h8-10,12,15,17H,5-7H2,1-4H3
InChIKeyFQYYMINLXAKKIJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190181
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960512
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine (CID 79747552) is N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine is CCNC(c1ccc(F)c(C)c1)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine?
The InChIKey is FQYYMINLXAKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-12(6-2)15(17-7-3)13-8-9-14(16)11(4)10-13/h8-10,12,15,17H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine?
N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine is sourced from PubChem (CID 79747552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).