1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine

C14H18F3NO — CID 104770235

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(CC1CCOc2ccccc21)CC(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-18-11(9-14(15,16)17)8-10-6-7-19-13-5-3-2-4-12(10)13/h2-5,10-11,18H,6-9H2,1H3
InChIKeyOFLQELQPCXZMIZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.48
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine (PubChem CID 104770235) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
PubChem CID104770235
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(CC1CCOc2ccccc21)CC(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-18-11(9-14(15,16)17)8-10-6-7-19-13-5-3-2-4-12(10)13/h2-5,10-11,18H,6-9H2,1H3
InChIKeyOFLQELQPCXZMIZ-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
4-(3,4-dihydro-2H-chromen-4-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259425
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
CID 104770492
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 104770544
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine (CID 104770235) is 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine is CNC(CC1CCOc2ccccc21)CC(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The InChIKey is OFLQELQPCXZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-11(9-14(15,16)17)8-10-6-7-19-13-5-3-2-4-12(10)13/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.48, 4 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-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine is sourced from PubChem (CID 104770235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).