1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine

C12H16FN — CID 114827813

IUPAC1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)Cc1ccccc1F
InChIInChI=1S/C12H16FN/c1-3-8-14-10(2)9-11-6-4-5-7-12(11)13/h3-7,10,14H,1,8-9H2,2H3
InChIKeySSZNHKHNNYVLHZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine

1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine (PubChem CID 114827813) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
PubChem CID114827813
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)Cc1ccccc1F
InChIInChI=1S/C12H16FN/c1-3-8-14-10(2)9-11-6-4-5-7-12(11)13/h3-7,10,14H,1,8-9H2,2H3
InChIKeySSZNHKHNNYVLHZ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 114830797
1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 114830845
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
N-[(2-fluorophenyl)methyl]but-3-en-2-amine
CID 115691124
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine (CID 114827813) is 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine is C=CCNC(C)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine?
The InChIKey is SSZNHKHNNYVLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-8-14-10(2)9-11-6-4-5-7-12(11)13/h3-7,10,14H,1,8-9H2,2H3.
What are the key properties of 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine?
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine has a molecular weight of 193.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 114827813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).