2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine

C12H16F2N2 — CID 104557620

IUPAC2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
SMILESFC(F)CNCc1cccc2c1CCNC2
InChIInChI=1S/C12H16F2N2/c13-12(14)8-16-7-10-3-1-2-9-6-15-5-4-11(9)10/h1-3,12,15-16H,4-8H2
InChIKeySEQCIVKDRSBDCE-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.69
Rot. Bonds4

About 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine

2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine (PubChem CID 104557620) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
PubChem CID104557620
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
SMILESFC(F)CNCc1cccc2c1CCNC2
InChIInChI=1S/C12H16F2N2/c13-12(14)8-16-7-10-3-1-2-9-6-15-5-4-11(9)10/h1-3,12,15-16H,4-8H2
InChIKeySEQCIVKDRSBDCE-UHFFFAOYSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557410
N-[(3-ethylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557608
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
2,2-difluoro-N-[(1-methyl-2,3-dihydroindol-4-yl)methyl]ethanamine
CID 147931462
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104557449
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine (CID 104557620) is 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine is FC(F)CNCc1cccc2c1CCNC2.
What is the InChIKey of 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
The InChIKey is SEQCIVKDRSBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)8-16-7-10-3-1-2-9-6-15-5-4-11(9)10/h1-3,12,15-16H,4-8H2.
What are the key properties of 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine?
2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine has a molecular weight of 226.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine is sourced from PubChem (CID 104557620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).