azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine

C10H15FN2 — CID 70522595

IUPACazane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
SMILESN.NC/C(=C/F)Cc1ccccc1
InChIInChI=1S/C10H12FN.H3N/c11-7-10(8-12)6-9-4-2-1-3-5-9;/h1-5,7H,6,8,12H2;1H3/b10-7+;
InChIKeyYLMNVHWUJMWNJY-HCUGZAAXSA-N
MW182.24 g/mol
LogP2.20
Rot. Bonds3

About azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine

azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine (PubChem CID 70522595) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Nameazane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
PubChem CID70522595
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Nameazane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
SMILESN.NC/C(=C/F)Cc1ccccc1
InChIInChI=1S/C10H12FN.H3N/c11-7-10(8-12)6-9-4-2-1-3-5-9;/h1-5,7H,6,8,12H2;1H3/b10-7+;
InChIKeyYLMNVHWUJMWNJY-HCUGZAAXSA-N
XLogP2.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-fluoro-2-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 66982865
(2-benzyl-3-fluoroprop-2-enyl)benzene;silane
CID 159949787
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
2-(fluoromethylidene)hexylbenzene;silane
CID 161077647
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
(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
[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
CID 126569736
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630

Frequently Asked Questions

What is the IUPAC name of azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine?
The IUPAC name of azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine (CID 70522595) is azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine?
The canonical SMILES for azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine is N.NC/C(=C/F)Cc1ccccc1.
What is the InChIKey of azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine?
The InChIKey is YLMNVHWUJMWNJY-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H12FN.H3N/c11-7-10(8-12)6-9-4-2-1-3-5-9;/h1-5,7H,6,8,12H2;1H3/b10-7+;.
What are the key properties of azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine?
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine has a molecular weight of 182.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 70522595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).