2-fluoro-3-(4-methoxyphenyl)propan-1-amine

C10H14FNO — CID 84718779

IUPAC2-fluoro-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(F)CN)cc1
InChIInChI=1S/C10H14FNO/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9H,6-7,12H2,1H3
InChIKeyBTEQMVVHCIGDIK-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.53
Rot. Bonds4

About 2-fluoro-3-(4-methoxyphenyl)propan-1-amine

2-fluoro-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 84718779) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(4-methoxyphenyl)propan-1-amine
PubChem CID84718779
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(F)CN)cc1
InChIInChI=1S/C10H14FNO/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9H,6-7,12H2,1H3
InChIKeyBTEQMVVHCIGDIK-UHFFFAOYSA-N
XLogP1.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(4-methoxyphenyl)propan-1-amine (CID 84718779) is 2-fluoro-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CC(F)CN)cc1.
What is the InChIKey of 2-fluoro-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is BTEQMVVHCIGDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9H,6-7,12H2,1H3.
What are the key properties of 2-fluoro-3-(4-methoxyphenyl)propan-1-amine?
2-fluoro-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 84718779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).