4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

C16H17BrN2 — CID 65342629

IUPAC4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCC1Cc2ccccc2N(c2cc(Br)ccc2N)C1
InChIInChI=1S/C16H17BrN2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-9-13(17)6-7-14(16)18/h2-7,9,11H,8,10,18H2,1H3
InChIKeyRTMFHMVJIBNAES-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.36
Rot. Bonds1

About 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (PubChem CID 65342629) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
PubChem CID65342629
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCC1Cc2ccccc2N(c2cc(Br)ccc2N)C1
InChIInChI=1S/C16H17BrN2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-9-13(17)6-7-14(16)18/h2-7,9,11H,8,10,18H2,1H3
InChIKeyRTMFHMVJIBNAES-UHFFFAOYSA-N
XLogP4.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The IUPAC name of 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (CID 65342629) is 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.
What is the SMILES notation for 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The canonical SMILES for 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is CC1Cc2ccccc2N(c2cc(Br)ccc2N)C1.
What is the InChIKey of 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The InChIKey is RTMFHMVJIBNAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-9-13(17)6-7-14(16)18/h2-7,9,11H,8,10,18H2,1H3.
What are the key properties of 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline has a molecular weight of 317.23 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is sourced from PubChem (CID 65342629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).