3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C15H22FN — CID 79338174

IUPAC3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(C)c1)CNCC(C)C
InChIInChI=1S/C15H22FN/c1-11(2)9-17-10-12(3)7-14-5-6-15(16)13(4)8-14/h5-8,11,17H,9-10H2,1-4H3
InChIKeySRVHRUSHXHGGGK-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.78
Rot. Bonds5

About 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79338174) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79338174
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(C)c1)CNCC(C)C
InChIInChI=1S/C15H22FN/c1-11(2)9-17-10-12(3)7-14-5-6-15(16)13(4)8-14/h5-8,11,17H,9-10H2,1-4H3
InChIKeySRVHRUSHXHGGGK-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340617
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-amine
CID 79341385
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
(E)-4-(4-fluoro-3-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093183
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79338174) is 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is CC(=Cc1ccc(F)c(C)c1)CNCC(C)C.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is SRVHRUSHXHGGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)9-17-10-12(3)7-14-5-6-15(16)13(4)8-14/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.78, 5 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-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79338174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).