1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine

C15H24FN — CID 154966754

IUPAC1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine
SMILESCCC(NC)C1=CC(CCC2CC2)=C(F)CC1
InChIInChI=1S/C15H24FN/c1-3-15(17-2)13-8-9-14(16)12(10-13)7-6-11-4-5-11/h10-11,15,17H,3-9H2,1-2H3
InChIKeyADHKCUZOMWPYRR-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.12
Rot. Bonds6

About 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine

1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine (PubChem CID 154966754) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine
PubChem CID154966754
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine
SMILESCCC(NC)C1=CC(CCC2CC2)=C(F)CC1
InChIInChI=1S/C15H24FN/c1-3-15(17-2)13-8-9-14(16)12(10-13)7-6-11-4-5-11/h10-11,15,17H,3-9H2,1-2H3
InChIKeyADHKCUZOMWPYRR-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine
CID 55031798
3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane
CID 123749784
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105157885
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine
CID 114330463
1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
CID 104994770
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine (CID 154966754) is 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine is CCC(NC)C1=CC(CCC2CC2)=C(F)CC1.
What is the InChIKey of 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine?
The InChIKey is ADHKCUZOMWPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-15(17-2)13-8-9-14(16)12(10-13)7-6-11-4-5-11/h10-11,15,17H,3-9H2,1-2H3.
What are the key properties of 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine?
1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 154966754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).