(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine

C16H16FN — CID 66982865

IUPAC(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16FN/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,11H,10,12,18H2/b14-11+
InChIKeySMHPIRMLAGWVPY-SDNWHVSQSA-N
MW241.31 g/mol
LogP3.71
Rot. Bonds4

About (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine (PubChem CID 66982865) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine
PubChem CID66982865
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16FN/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,11H,10,12,18H2/b14-11+
InChIKeySMHPIRMLAGWVPY-SDNWHVSQSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
(2-benzyl-3-fluoroprop-2-enyl)benzene;silane
CID 159949787
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 25013777
3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66982930
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-(4-phenylphenyl)acetyl chloride
CID 11264727
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
(2Z,4Z)-1-(4-phenylphenyl)hexa-2,4-dien-2-amine
CID 145299472
[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
CID 126569736

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine (CID 66982865) is (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine is NC/C(=C/F)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is SMHPIRMLAGWVPY-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H16FN/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,11H,10,12,18H2/b14-11+.
What are the key properties of (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 241.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 66982865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).