(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine

C11H14FN — CID 117265824

IUPAC(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
SMILESCNC/C=C\Cc1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-13-8-3-2-5-10-6-4-7-11(12)9-10/h2-4,6-7,9,13H,5,8H2,1H3/b3-2-
InChIKeyHWCPTORJYFMPPB-IHWYPQMZSA-N
MW179.24 g/mol
LogP2.14
Rot. Bonds4

About (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine

(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine (PubChem CID 117265824) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
PubChem CID117265824
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
SMILESCNC/C=C\Cc1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-13-8-3-2-5-10-6-4-7-11(12)9-10/h2-4,6-7,9,13H,5,8H2,1H3/b3-2-
InChIKeyHWCPTORJYFMPPB-IHWYPQMZSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.14
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

1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
CID 174834493
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132755
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine
CID 117268846
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine (CID 117265824) is (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine is CNC/C=C\Cc1cccc(F)c1.
What is the InChIKey of (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine?
The InChIKey is HWCPTORJYFMPPB-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H14FN/c1-13-8-3-2-5-10-6-4-7-11(12)9-10/h2-4,6-7,9,13H,5,8H2,1H3/b3-2-.
What are the key properties of (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine?
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 117265824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).