1-(3-bromo-4-methylphenyl)propane-1,2-diamine

C10H15BrN2 — CID 131002270

IUPAC1-(3-bromo-4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N)cc1Br
InChIInChI=1S/C10H15BrN2/c1-6-3-4-8(5-9(6)11)10(13)7(2)12/h3-5,7,10H,12-13H2,1-2H3
InChIKeyNBXVFUGADPHGMK-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.10
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)propane-1,2-diamine

1-(3-bromo-4-methylphenyl)propane-1,2-diamine (PubChem CID 131002270) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)propane-1,2-diamine
PubChem CID131002270
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name1-(3-bromo-4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N)cc1Br
InChIInChI=1S/C10H15BrN2/c1-6-3-4-8(5-9(6)11)10(13)7(2)12/h3-5,7,10H,12-13H2,1-2H3
InChIKeyNBXVFUGADPHGMK-UHFFFAOYSA-N
XLogP2.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
CID 105013875
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680
(3R)-3-amino-3-(3-bromo-4-methylphenyl)propanenitrile
CID 131026751

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)propane-1,2-diamine (CID 131002270) is 1-(3-bromo-4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)propane-1,2-diamine is Cc1ccc(C(N)C(C)N)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)propane-1,2-diamine?
The InChIKey is NBXVFUGADPHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-6-3-4-8(5-9(6)11)10(13)7(2)12/h3-5,7,10H,12-13H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)propane-1,2-diamine?
1-(3-bromo-4-methylphenyl)propane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 131002270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).