N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

C18H20FNO — CID 81139709

IUPACN-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCc1cc(F)ccc1NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H20FNO/c1-12-10-13(19)8-9-15(12)20-16-11-18(2,3)21-17-7-5-4-6-14(16)17/h4-10,16,20H,11H2,1-3H3
InChIKeyDXNQSNADEMLBHH-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.85
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 81139709) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID81139709
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCc1cc(F)ccc1NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H20FNO/c1-12-10-13(19)8-9-15(12)20-16-11-18(2,3)21-17-7-5-4-6-14(16)17/h4-10,16,20H,11H2,1-3H3
InChIKeyDXNQSNADEMLBHH-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylphenol
CID 81140231
N-(2-bromo-5-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107633218
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107631116
N-(3-bromo-4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 104775890
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
CID 70398433
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
2,2-dimethyl-N-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydrochromen-4-amine
CID 133363308
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
CID 165409875
2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
CID 81142463

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 81139709) is N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is Cc1cc(F)ccc1NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is DXNQSNADEMLBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-10-13(19)8-9-15(12)20-16-11-18(2,3)21-17-7-5-4-6-14(16)17/h4-10,16,20H,11H2,1-3H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 285.36 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81139709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).