azane;4-bromo-2-methylaniline

C7H11BrN2 — CID 175038668

IUPACazane;4-bromo-2-methylaniline
SMILESCc1cc(Br)ccc1N.N
InChIInChI=1S/C7H8BrN.H3N/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H3
InChIKeyLGRGBWBICQPRTC-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.50
Rot. Bonds

About azane;4-bromo-2-methylaniline

azane;4-bromo-2-methylaniline (PubChem CID 175038668) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is azane;4-bromo-2-methylaniline.

Molecular Properties

Compound Nameazane;4-bromo-2-methylaniline
PubChem CID175038668
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Nameazane;4-bromo-2-methylaniline
SMILESCc1cc(Br)ccc1N.N
InChIInChI=1S/C7H8BrN.H3N/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H3
InChIKeyLGRGBWBICQPRTC-UHFFFAOYSA-N
XLogP2.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
CID 65467148
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
4-bromo-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 65343203
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275

Frequently Asked Questions

What is the IUPAC name of azane;4-bromo-2-methylaniline?
The IUPAC name of azane;4-bromo-2-methylaniline (CID 175038668) is azane;4-bromo-2-methylaniline.
What is the SMILES notation for azane;4-bromo-2-methylaniline?
The canonical SMILES for azane;4-bromo-2-methylaniline is Cc1cc(Br)ccc1N.N.
What is the InChIKey of azane;4-bromo-2-methylaniline?
The InChIKey is LGRGBWBICQPRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.H3N/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H3.
What are the key properties of azane;4-bromo-2-methylaniline?
azane;4-bromo-2-methylaniline has a molecular weight of 203.08 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-bromo-2-methylaniline is sourced from PubChem (CID 175038668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).