1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine

C17H18FNO — CID 114746624

IUPAC1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C17H18FNO/c1-19-11-12-7-8-16(18)15(10-12)14-6-2-4-13-5-3-9-20-17(13)14/h2,4,6-8,10,19H,3,5,9,11H2,1H3
InChIKeyCIYVSRFYXMHGSO-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.54
Rot. Bonds3

About 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 114746624) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID114746624
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C17H18FNO/c1-19-11-12-7-8-16(18)15(10-12)14-6-2-4-13-5-3-9-20-17(13)14/h2,4,6-8,10,19H,3,5,9,11H2,1H3
InChIKeyCIYVSRFYXMHGSO-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine (CID 114746624) is 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cccc3c2OCCC3)c1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is CIYVSRFYXMHGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-11-12-7-8-16(18)15(10-12)14-6-2-4-13-5-3-9-20-17(13)14/h2,4,6-8,10,19H,3,5,9,11H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114746624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).