1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine

C17H15BrN2 — CID 81259489

IUPAC1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H15BrN2/c1-11-8-15(19)5-7-17(11)20-16-6-3-12-9-14(18)4-2-13(12)10-16/h2-10,20H,19H2,1H3
InChIKeyZFMGOQKWRHCDQI-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.24
Rot. Bonds2

About 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine

1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine (PubChem CID 81259489) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine
PubChem CID81259489
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H15BrN2/c1-11-8-15(19)5-7-17(11)20-16-6-3-12-9-14(18)4-2-13(12)10-16/h2-10,20H,19H2,1H3
InChIKeyZFMGOQKWRHCDQI-UHFFFAOYSA-N
XLogP5.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.24
H-Bond Donors ≤ 52
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 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine (CID 81259489) is 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine?
The InChIKey is ZFMGOQKWRHCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-8-15(19)5-7-17(11)20-16-6-3-12-9-14(18)4-2-13(12)10-16/h2-10,20H,19H2,1H3.
What are the key properties of 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine?
1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine has a molecular weight of 327.23 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 81259489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).