1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine

C17H18FNO — CID 61032684

IUPAC1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc3c(c2)CCCO3)ccc1F
InChIInChI=1S/C17H18FNO/c1-19-11-15-10-12(4-6-16(15)18)13-5-7-17-14(9-13)3-2-8-20-17/h4-7,9-10,19H,2-3,8,11H2,1H3
InChIKeyFOIQBQMDRKFACL-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.54
Rot. Bonds3

About 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine

1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 61032684) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID61032684
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc3c(c2)CCCO3)ccc1F
InChIInChI=1S/C17H18FNO/c1-19-11-15-10-12(4-6-16(15)18)13-5-7-17-14(9-13)3-2-8-20-17/h4-7,9-10,19H,2-3,8,11H2,1H3
InChIKeyFOIQBQMDRKFACL-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

Analyze 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
CID 54910696
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61026966
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 96680251
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524
1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine (CID 61032684) is 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine is CNCc1cc(-c2ccc3c(c2)CCCO3)ccc1F.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is FOIQBQMDRKFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-11-15-10-12(4-6-16(15)18)13-5-7-17-14(9-13)3-2-8-20-17/h4-7,9-10,19H,2-3,8,11H2,1H3.
What are the key properties of 1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine?
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-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-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 61032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).