N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine

C12H16FNO — CID 166967445

IUPACN-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine
SMILESC=C(CCOC)NCc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-10(7-8-15-2)14-9-11-5-3-4-6-12(11)13/h3-6,14H,1,7-9H2,2H3
InChIKeyAXXVUQCSYAFHER-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.47
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine

N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine (PubChem CID 166967445) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine
PubChem CID166967445
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine
SMILESC=C(CCOC)NCc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-10(7-8-15-2)14-9-11-5-3-4-6-12(11)13/h3-6,14H,1,7-9H2,2H3
InChIKeyAXXVUQCSYAFHER-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine (CID 166967445) is N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine is C=C(CCOC)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine?
The InChIKey is AXXVUQCSYAFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-10(7-8-15-2)14-9-11-5-3-4-6-12(11)13/h3-6,14H,1,7-9H2,2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine?
N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine has a molecular weight of 209.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine is sourced from PubChem (CID 166967445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).