2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C18H20FNO — CID 114713618

IUPAC2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(C)c(C)c2)Oc2cc(F)ccc21
InChIInChI=1S/C18H20FNO/c1-11-4-5-13(8-12(11)2)17-10-16(20-3)15-7-6-14(19)9-18(15)21-17/h4-9,16-17,20H,10H2,1-3H3
InChIKeyPUYOXYHWVRVDMP-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.23
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713618) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713618
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(C)c(C)c2)Oc2cc(F)ccc21
InChIInChI=1S/C18H20FNO/c1-11-4-5-13(8-12(11)2)17-10-16(20-3)15-7-6-14(19)9-18(15)21-17/h4-9,16-17,20H,10H2,1-3H3
InChIKeyPUYOXYHWVRVDMP-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
2-(3-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 105404416
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713701
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710520
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712081

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114713618) is 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(C)c(C)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PUYOXYHWVRVDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-4-5-13(8-12(11)2)17-10-16(20-3)15-7-6-14(19)9-18(15)21-17/h4-9,16-17,20H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).