[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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Related Compounds

[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 107881906
[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62342737
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
4-[(2,3-difluorophenyl)methyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 75453699
2-(3-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 59323136
(2,3-difluorophenyl)methanamine
CID 2736941
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
CID 62592822

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).