3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C14H20FN — CID 79340617

IUPAC3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(C)c1)CNC(C)C
InChIInChI=1S/C14H20FN/c1-10(2)16-9-11(3)7-13-5-6-14(15)12(4)8-13/h5-8,10,16H,9H2,1-4H3
InChIKeyCABGWDMVCLBVJD-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.54
Rot. Bonds4

About 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79340617) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79340617
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(C)c1)CNC(C)C
InChIInChI=1S/C14H20FN/c1-10(2)16-9-11(3)7-13-5-6-14(15)12(4)8-13/h5-8,10,16H,9H2,1-4H3
InChIKeyCABGWDMVCLBVJD-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340621
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
(E)-4-(4-fluoro-3-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093183
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79341026
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340521
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
2-methoxy-5-[2-methyl-3-(propan-2-ylamino)prop-1-enyl]benzonitrile
CID 79341030
(3S,4S,5S,6R)-1,8-bis(4-fluoro-3-methylphenyl)octa-1,7-diene-2,3,4,5,6,7-hexol
CID 69363774
1-fluoro-2-methyl-4-[(Z)-3-methyl-2-nitrobut-1-enyl]benzene
CID 115347811
(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031
1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
CID 76936147

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 79340617) is 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is CC(=Cc1ccc(F)c(C)c1)CNC(C)C.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is CABGWDMVCLBVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)16-9-11(3)7-13-5-6-14(15)12(4)8-13/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79340617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).