(E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine

C11H14FN — CID 88657729

IUPAC(E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
SMILESCc1ccccc1CNC/C=C/F
InChIInChI=1S/C11H14FN/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-7,13H,8-9H2,1H3/b7-4+
InChIKeyUQONSLZRVMDHNH-QPJJXVBHSA-N
MW179.24 g/mol
LogP2.57
Rot. Bonds4

About (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine

(E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine (PubChem CID 88657729) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
PubChem CID88657729
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
SMILESCc1ccccc1CNC/C=C/F
InChIInChI=1S/C11H14FN/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-7,13H,8-9H2,1H3/b7-4+
InChIKeyUQONSLZRVMDHNH-QPJJXVBHSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
formaldehyde;N-[(2-methylphenyl)methyl]formamide
CID 143352574
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine (CID 88657729) is (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine is Cc1ccccc1CNC/C=C/F.
What is the InChIKey of (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is UQONSLZRVMDHNH-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H14FN/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-7,13H,8-9H2,1H3/b7-4+.
What are the key properties of (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
(E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-[(2-methylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 88657729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).