2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

C16H16F2N2 — CID 80649508

IUPAC2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESFc1cccc(NCc2cccc3c2NCCC3)c1F
InChIInChI=1S/C16H16F2N2/c17-13-7-2-8-14(15(13)18)20-10-12-5-1-4-11-6-3-9-19-16(11)12/h1-2,4-5,7-8,19-20H,3,6,9-10H2
InChIKeyRXRSKVCQPIYMNQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.93
Rot. Bonds3

About 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (PubChem CID 80649508) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
PubChem CID80649508
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESFc1cccc(NCc2cccc3c2NCCC3)c1F
InChIInChI=1S/C16H16F2N2/c17-13-7-2-8-14(15(13)18)20-10-12-5-1-4-11-6-3-9-19-16(11)12/h1-2,4-5,7-8,19-20H,3,6,9-10H2
InChIKeyRXRSKVCQPIYMNQ-UHFFFAOYSA-N
XLogP3.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)benzonitrile
CID 80649907
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 83078170
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine
CID 80650008
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-ethyl-6-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649030
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (CID 80649508) is 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is Fc1cccc(NCc2cccc3c2NCCC3)c1F.
What is the InChIKey of 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The InChIKey is RXRSKVCQPIYMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-13-7-2-8-14(15(13)18)20-10-12-5-1-4-11-6-3-9-19-16(11)12/h1-2,4-5,7-8,19-20H,3,6,9-10H2.
What are the key properties of 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline has a molecular weight of 274.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is sourced from PubChem (CID 80649508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).