2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline

C17H18Br2N2 — CID 63427544

IUPAC2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
SMILESCN1CCCc2cc(CNc3ccc(Br)cc3Br)ccc21
InChIInChI=1S/C17H18Br2N2/c1-21-8-2-3-13-9-12(4-7-17(13)21)11-20-16-6-5-14(18)10-15(16)19/h4-7,9-10,20H,2-3,8,11H2,1H3
InChIKeyPWIOLXHJQMQMPM-UHFFFAOYSA-N
MW410.15 g/mol
LogP5.21
Rot. Bonds3

About 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline

2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline (PubChem CID 63427544) has the molecular formula C17H18Br2N2 and a molecular weight of 410.15 g/mol. Its IUPAC name is 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
PubChem CID63427544
Molecular FormulaC17H18Br2N2
Molecular Weight410.15 g/mol
Exact Mass407.98
IUPAC Name2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
SMILESCN1CCCc2cc(CNc3ccc(Br)cc3Br)ccc21
InChIInChI=1S/C17H18Br2N2/c1-21-8-2-3-13-9-12(4-7-17(13)21)11-20-16-6-5-14(18)10-15(16)19/h4-7,9-10,20H,2-3,8,11H2,1H3
InChIKeyPWIOLXHJQMQMPM-UHFFFAOYSA-N
XLogP5.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.15
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline (CID 63427544) is 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline is CN1CCCc2cc(CNc3ccc(Br)cc3Br)ccc21.
What is the InChIKey of 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
The InChIKey is PWIOLXHJQMQMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2/c1-21-8-2-3-13-9-12(4-7-17(13)21)11-20-16-6-5-14(18)10-15(16)19/h4-7,9-10,20H,2-3,8,11H2,1H3.
What are the key properties of 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline has a molecular weight of 410.15 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline is sourced from PubChem (CID 63427544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).