N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H16FNO — CID 43195976

IUPACN-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(F)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C16H16FNO/c1-11-10-12(17)6-7-14(11)18-15-8-9-19-16-5-3-2-4-13(15)16/h2-7,10,15,18H,8-9H2,1H3
InChIKeyUDHIDFKHBPOAPN-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.07
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43195976) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43195976
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(F)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C16H16FNO/c1-11-10-12(17)6-7-14(11)18-15-8-9-19-16-5-3-2-4-13(15)16/h2-7,10,15,18H,8-9H2,1H3
InChIKeyUDHIDFKHBPOAPN-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
8-bromo-N-(4-fluoro-2-methylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43764933
N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139709
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
[2-(3,4-dihydro-2H-chromen-4-ylamino)-4-fluorophenyl]methanesulfinic acid
CID 174539898
[2-(3,4-dihydro-2H-chromen-4-ylamino)-4-fluorophenyl]methanesulfinate
CID 174539897
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43733696

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43195976) is N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(F)ccc1NC1CCOc2ccccc21.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UDHIDFKHBPOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-10-12(17)6-7-14(11)18-15-8-9-19-16-5-3-2-4-13(15)16/h2-7,10,15,18H,8-9H2,1H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 257.31 g/mol, XLogP of 4.07, 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)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43195976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).