N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine

C18H18F3NO2 — CID 155313727

IUPACN,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine
SMILESCC1CCOc2cc(N(C)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C18H18F3NO2/c1-12-9-10-23-17-11-14(5-8-16(12)17)22(2)13-3-6-15(7-4-13)24-18(19,20)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyAGBSSJPZOQCTQU-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.24
Rot. Bonds3

About N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine

N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine (PubChem CID 155313727) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine
PubChem CID155313727
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine
SMILESCC1CCOc2cc(N(C)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C18H18F3NO2/c1-12-9-10-23-17-11-14(5-8-16(12)17)22(2)13-3-6-15(7-4-13)24-18(19,20)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyAGBSSJPZOQCTQU-UHFFFAOYSA-N
XLogP5.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2844716
1,1,1-Trifluoro-3-((3-(3-isopropylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-ol
CID 9828869
(R)-1,1,1-trifluoro-3-((3-(3-isopropylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-ol
CID 10187358
1,1,1-Trifluoro-3-((3-isobutylbenzyl)(3-phenoxyphenyl)amino)propan-2-ol
CID 11070290
1-(5-fluoro-9H-xanthen-3-yl)pyrrolidine
CID 132168106
Nnc 09-0026
CID 132350
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CID 202706
3-(4-ethoxyphenyl)-6-fluoro-3,4-dihydro-2H-1,3-benzoxazine
CID 712123
US9957261, Example 94
CID 118860393
1-(3,4-Dihydro-2H-1-benzopyran-4-yl)-4-(3-methoxyphenyl)piperazine
CID 3067666
(4R)-2-amino-4-(4-butoxyphenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile
CID 40474007
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CID 90775274

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine (CID 155313727) is N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine is CC1CCOc2cc(N(C)c3ccc(OC(F)(F)F)cc3)ccc21.
What is the InChIKey of N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is AGBSSJPZOQCTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12-9-10-23-17-11-14(5-8-16(12)17)22(2)13-3-6-15(7-4-13)24-18(19,20)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine?
N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 337.34 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 155313727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).