(4-bromophenyl)methanediamine

C7H9BrN2 — CID 68740698

IUPAC(4-bromophenyl)methanediamine
SMILESNC(N)c1ccc(Br)cc1
InChIInChI=1S/C7H9BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H,9-10H2
InChIKeyJTTLCFDAGUVOHM-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.37
Rot. Bonds1

About (4-bromophenyl)methanediamine

(4-bromophenyl)methanediamine (PubChem CID 68740698) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is (4-bromophenyl)methanediamine.

Molecular Properties

Compound Name(4-bromophenyl)methanediamine
PubChem CID68740698
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name(4-bromophenyl)methanediamine
SMILESNC(N)c1ccc(Br)cc1
InChIInChI=1S/C7H9BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H,9-10H2
InChIKeyJTTLCFDAGUVOHM-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

(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420
(3,5-dibromophenyl)methanediamine
CID 141415673
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
(4-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607952
1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84705574
azane;1,4-dibromobenzene
CID 175259215
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
2,3-diamino-3-(4-bromophenyl)propanoic acid
CID 116942182

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methanediamine?
The IUPAC name of (4-bromophenyl)methanediamine (CID 68740698) is (4-bromophenyl)methanediamine.
What is the SMILES notation for (4-bromophenyl)methanediamine?
The canonical SMILES for (4-bromophenyl)methanediamine is NC(N)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methanediamine?
The InChIKey is JTTLCFDAGUVOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H,9-10H2.
What are the key properties of (4-bromophenyl)methanediamine?
(4-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 (4-bromophenyl)methanediamine is sourced from PubChem (CID 68740698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).