3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine

C12H16FN — CID 117268846

IUPAC3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)Cc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-10(6-7-14-2)8-11-4-3-5-12(13)9-11/h3-5,9,14H,1,6-8H2,2H3
InChIKeySWRHCCBHYYZESF-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.53
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine

3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine (PubChem CID 117268846) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine
PubChem CID117268846
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)Cc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-10(6-7-14-2)8-11-4-3-5-12(13)9-11/h3-5,9,14H,1,6-8H2,2H3
InChIKeySWRHCCBHYYZESF-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 ≤ 500193.26
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

2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
CID 117266417
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide
CID 54973713
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284126
ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
CID 143768641
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
1-fluoro-3-(2-isocyanatoprop-2-enyl)benzene
CID 117267211

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine (CID 117268846) is 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine is C=C(CCNC)Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine?
The InChIKey is SWRHCCBHYYZESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-10(6-7-14-2)8-11-4-3-5-12(13)9-11/h3-5,9,14H,1,6-8H2,2H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine?
3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine has a molecular weight of 193.26 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 3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine is sourced from PubChem (CID 117268846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).