(2-bromophenyl)methanediamine

C7H9BrN2 — CID 22286781

IUPAC(2-bromophenyl)methanediamine
SMILESNC(N)c1ccccc1Br
InChIInChI=1S/C7H9BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H,9-10H2
InChIKeyJXGIAUMQMNETBN-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.37
Rot. Bonds1

About (2-bromophenyl)methanediamine

(2-bromophenyl)methanediamine (PubChem CID 22286781) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is (2-bromophenyl)methanediamine.

Molecular Properties

Compound Name(2-bromophenyl)methanediamine
PubChem CID22286781
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name(2-bromophenyl)methanediamine
SMILESNC(N)c1ccccc1Br
InChIInChI=1S/C7H9BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H,9-10H2
InChIKeyJXGIAUMQMNETBN-UHFFFAOYSA-N
XLogP1.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
1,3-diamino-1-(2-bromophenyl)propan-2-ol
CID 116942608
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
O-[1-(2-bromophenyl)ethyl]hydroxylamine
CID 117104899
1-(2-bromophenyl)ethanethiol
CID 43124084
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methanediamine?
The IUPAC name of (2-bromophenyl)methanediamine (CID 22286781) is (2-bromophenyl)methanediamine.
What is the SMILES notation for (2-bromophenyl)methanediamine?
The canonical SMILES for (2-bromophenyl)methanediamine is NC(N)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methanediamine?
The InChIKey is JXGIAUMQMNETBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H,9-10H2.
What are the key properties of (2-bromophenyl)methanediamine?
(2-bromophenyl)methanediamine has a molecular weight of 201.07 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methanediamine is sourced from PubChem (CID 22286781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).