2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine

C15H22F2N2O — CID 150135432

IUPAC2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCOCC(F)(F)CN1Cc2ccc(N)c(C)c2CC1C
InChIInChI=1S/C15H22F2N2O/c1-10-6-13-11(2)14(18)5-4-12(13)7-19(10)8-15(16,17)9-20-3/h4-5,10H,6-9,18H2,1-3H3
InChIKeyFCDCYUKJXJRALZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.61
Rot. Bonds4

About 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine

2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine (PubChem CID 150135432) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine
PubChem CID150135432
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCOCC(F)(F)CN1Cc2ccc(N)c(C)c2CC1C
InChIInChI=1S/C15H22F2N2O/c1-10-6-13-11(2)14(18)5-4-12(13)7-19(10)8-15(16,17)9-20-3/h4-5,10H,6-9,18H2,1-3H3
InChIKeyFCDCYUKJXJRALZ-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine?
The IUPAC name of 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine (CID 150135432) is 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine?
The canonical SMILES for 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine is COCC(F)(F)CN1Cc2ccc(N)c(C)c2CC1C.
What is the InChIKey of 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine?
The InChIKey is FCDCYUKJXJRALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10-6-13-11(2)14(18)5-4-12(13)7-19(10)8-15(16,17)9-20-3/h4-5,10H,6-9,18H2,1-3H3.
What are the key properties of 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine?
2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine has a molecular weight of 284.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 150135432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).