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

C11H14FNO — CID 104791408

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cccc(OC)c1F
InChIInChI=1S/C11H14FNO/c1-3-7-13-8-9-5-4-6-10(14-2)11(9)12/h3-6,13H,1,7-8H2,2H3
InChIKeyGQVVRRLPTWEYQG-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.11
Rot. Bonds5

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

N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine (PubChem CID 104791408) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
PubChem CID104791408
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cccc(OC)c1F
InChIInChI=1S/C11H14FNO/c1-3-7-13-8-9-5-4-6-10(14-2)11(9)12/h3-6,13H,1,7-8H2,2H3
InChIKeyGQVVRRLPTWEYQG-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17056749
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine (CID 104791408) is N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine is C=CCNCc1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine?
The InChIKey is GQVVRRLPTWEYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-7-13-8-9-5-4-6-10(14-2)11(9)12/h3-6,13H,1,7-8H2,2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 104791408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).