4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine

C14H22FN — CID 105376290

IUPAC4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-11-5-6-13(15)9-12(11)10-14(2,3)7-8-16-4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyMMIDNIIOUJJHSE-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.31
Rot. Bonds5

About 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine

4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 105376290) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID105376290
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-11-5-6-13(15)9-12(11)10-14(2,3)7-8-16-4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyMMIDNIIOUJJHSE-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 114349788
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine (CID 105376290) is 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine is CNCCC(C)(C)Cc1cc(F)ccc1C.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is MMIDNIIOUJJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-11-5-6-13(15)9-12(11)10-14(2,3)7-8-16-4/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine?
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 105376290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).