1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C18H20FNO — CID 61027481

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H20FNO/c1-12-5-6-15(11-16(12)19)18(20-2)14-7-8-17-13(10-14)4-3-9-21-17/h5-8,10-11,18,20H,3-4,9H2,1-2H3
InChIKeyLPBLWBFGVVXDGK-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.77
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 61027481) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID61027481
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H20FNO/c1-12-5-6-15(11-16(12)19)18(20-2)14-7-8-17-13(10-14)4-3-9-21-17/h5-8,10-11,18,20H,3-4,9H2,1-2H3
InChIKeyLPBLWBFGVVXDGK-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 54908971
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 61026466
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61026966
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 61027481) is 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is LPBLWBFGVVXDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-5-6-15(11-16(12)19)18(20-2)14-7-8-17-13(10-14)4-3-9-21-17/h5-8,10-11,18,20H,3-4,9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 61027481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).