3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C14H19F2N — CID 79337268

IUPAC3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(F)c1)CNCC(C)C
InChIInChI=1S/C14H19F2N/c1-10(2)8-17-9-11(3)6-12-4-5-13(15)14(16)7-12/h4-7,10,17H,8-9H2,1-3H3
InChIKeyLSEZMJMZSGRPLI-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.61
Rot. Bonds5

About 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79337268) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79337268
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(F)c(F)c1)CNCC(C)C
InChIInChI=1S/C14H19F2N/c1-10(2)8-17-9-11(3)6-12-4-5-13(15)14(16)7-12/h4-7,10,17H,8-9H2,1-3H3
InChIKeyLSEZMJMZSGRPLI-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
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
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79337268) is 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is CC(=Cc1ccc(F)c(F)c1)CNCC(C)C.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is LSEZMJMZSGRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(2)8-17-9-11(3)6-12-4-5-13(15)14(16)7-12/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79337268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).