N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine

C17H18FN — CID 115588694

IUPACN-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-13(2)12-19-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17,19H,1,12H2,2H3
InChIKeyLSOWBOHQOXJACH-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.08
Rot. Bonds5

About N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine

N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine (PubChem CID 115588694) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
PubChem CID115588694
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-13(2)12-19-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17,19H,1,12H2,2H3
InChIKeyLSOWBOHQOXJACH-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.08
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-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
2-[(benzhydrylamino)methyl]prop-2-enoic acid
CID 103237178
2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 65312987
3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
CID 106171119
N-[(4-fluorophenyl)-phenylmethyl]-3-methylsulfanylbutan-1-amine
CID 115676736

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine (CID 115588694) is N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine?
The InChIKey is LSOWBOHQOXJACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-13(2)12-19-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17,19H,1,12H2,2H3.
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine?
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine has a molecular weight of 255.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 115588694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).