N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine

C14H22FN — CID 60818718

IUPACN-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccc(C)c(F)c1
InChIInChI=1S/C14H22FN/c1-5-16-14(8-10(2)3)12-7-6-11(4)13(15)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyVLGLCVOJRSANPH-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.83
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine

N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine (PubChem CID 60818718) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
PubChem CID60818718
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccc(C)c(F)c1
InChIInChI=1S/C14H22FN/c1-5-16-14(8-10(2)3)12-7-6-11(4)13(15)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyVLGLCVOJRSANPH-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
1-(4-bromo-3-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 115781989
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine (CID 60818718) is N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine is CCNC(CC(C)C)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is VLGLCVOJRSANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-16-14(8-10(2)3)12-7-6-11(4)13(15)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine?
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 60818718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).