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

C14H22FN — CID 79746964

IUPAC1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1ccc(F)c(C)c1)C(C)C(C)C
InChIInChI=1S/C14H22FN/c1-9(2)11(4)14(16-5)12-6-7-13(15)10(3)8-12/h6-9,11,14,16H,1-5H3
InChIKeyMRCVZILKFQNBAB-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.69
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine (PubChem CID 79746964) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
PubChem CID79746964
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1ccc(F)c(C)c1)C(C)C(C)C
InChIInChI=1S/C14H22FN/c1-9(2)11(4)14(16-5)12-6-7-13(15)10(3)8-12/h6-9,11,14,16H,1-5H3
InChIKeyMRCVZILKFQNBAB-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105199475
methyl 2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]-3-methylbutanoate
CID 116960466
1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976
2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960512
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
CID 106877607
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
1-(4-fluoro-3-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79746883

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine (CID 79746964) is 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine is CNC(c1ccc(F)c(C)c1)C(C)C(C)C.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is MRCVZILKFQNBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-9(2)11(4)14(16-5)12-6-7-13(15)10(3)8-12/h6-9,11,14,16H,1-5H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine?
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 79746964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).