2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine

C15H18F3NO — CID 106210305

IUPAC2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NC2(C(F)(F)F)CC2)c2ccccc2O1
InChIInChI=1S/C15H18F3NO/c1-13(2)9-11(10-5-3-4-6-12(10)20-13)19-14(7-8-14)15(16,17)18/h3-6,11,19H,7-9H2,1-2H3
InChIKeyLZOCUQNIKIVOBA-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.97
Rot. Bonds2

About 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine (PubChem CID 106210305) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine
PubChem CID106210305
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NC2(C(F)(F)F)CC2)c2ccccc2O1
InChIInChI=1S/C15H18F3NO/c1-13(2)9-11(10-5-3-4-6-12(10)20-13)19-14(7-8-14)15(16,17)18/h3-6,11,19H,7-9H2,1-2H3
InChIKeyLZOCUQNIKIVOBA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine (CID 106210305) is 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine is CC1(C)CC(NC2(C(F)(F)F)CC2)c2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine?
The InChIKey is LZOCUQNIKIVOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-13(2)9-11(10-5-3-4-6-12(10)20-13)19-14(7-8-14)15(16,17)18/h3-6,11,19H,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine has a molecular weight of 285.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 106210305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).