N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine

C17H18FNO — CID 43221042

IUPACN-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccccc1CNCc1ccccc1F
InChIInChI=1S/C17H18FNO/c1-2-11-20-17-10-6-4-8-15(17)13-19-12-14-7-3-5-9-16(14)18/h2-10,19H,1,11-13H2
InChIKeyUSFOGSROMMWVKB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.68
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine

N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine (PubChem CID 43221042) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
PubChem CID43221042
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccccc1CNCc1ccccc1F
InChIInChI=1S/C17H18FNO/c1-2-11-20-17-10-6-4-8-15(17)13-19-12-14-7-3-5-9-16(14)18/h2-10,19H,1,11-13H2
InChIKeyUSFOGSROMMWVKB-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 63379238
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 60962267
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 60776676
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
CID 115491359
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine (CID 43221042) is N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine is C=CCOc1ccccc1CNCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The InChIKey is USFOGSROMMWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-11-20-17-10-6-4-8-15(17)13-19-12-14-7-3-5-9-16(14)18/h2-10,19H,1,11-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine has a molecular weight of 271.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 43221042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).