[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

C17H18F2N2 — CID 62343141

IUPAC[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESNCC1Cc2ccccc2CN1Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2N2/c18-16-7-3-6-14(17(16)19)11-21-10-13-5-2-1-4-12(13)8-15(21)9-20/h1-7,15H,8-11,20H2
InChIKeyNRKPVNZXCGZCBU-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.85
Rot. Bonds3

About [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (PubChem CID 62343141) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
PubChem CID62343141
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESNCC1Cc2ccccc2CN1Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2N2/c18-16-7-3-6-14(17(16)19)11-21-10-13-5-2-1-4-12(13)8-15(21)9-20/h1-7,15H,8-11,20H2
InChIKeyNRKPVNZXCGZCBU-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The IUPAC name of [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (CID 62343141) is [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.
What is the SMILES notation for [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The canonical SMILES for [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is NCC1Cc2ccccc2CN1Cc1cccc(F)c1F.
What is the InChIKey of [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The InChIKey is NRKPVNZXCGZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-16-7-3-6-14(17(16)19)11-21-10-13-5-2-1-4-12(13)8-15(21)9-20/h1-7,15H,8-11,20H2.
What are the key properties of [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine has a molecular weight of 288.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is sourced from PubChem (CID 62343141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).