N-[(2-fluorophenyl)methyl]but-3-en-2-amine

C11H14FN — CID 115691124

IUPACN-[(2-fluorophenyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1ccccc1F
InChIInChI=1S/C11H14FN/c1-3-9(2)13-8-10-6-4-5-7-11(10)12/h3-7,9,13H,1,8H2,2H3
InChIKeyGBTQFMRUXMYCOD-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.49
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]but-3-en-2-amine

N-[(2-fluorophenyl)methyl]but-3-en-2-amine (PubChem CID 115691124) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]but-3-en-2-amine
PubChem CID115691124
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-[(2-fluorophenyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1ccccc1F
InChIInChI=1S/C11H14FN/c1-3-9(2)13-8-10-6-4-5-7-11(10)12/h3-7,9,13H,1,8H2,2H3
InChIKeyGBTQFMRUXMYCOD-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-[(but-3-en-2-ylamino)methyl]benzoic acid
CID 103264945
1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 107859641
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
1-ethylsulfanyl-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 115660784
2-[(2-fluorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
CID 163331541
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]but-3-en-2-amine (CID 115691124) is N-[(2-fluorophenyl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]but-3-en-2-amine is C=CC(C)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]but-3-en-2-amine?
The InChIKey is GBTQFMRUXMYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-9(2)13-8-10-6-4-5-7-11(10)12/h3-7,9,13H,1,8H2,2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]but-3-en-2-amine?
N-[(2-fluorophenyl)methyl]but-3-en-2-amine has a molecular weight of 179.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]but-3-en-2-amine is sourced from PubChem (CID 115691124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).