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

C10H15BrN2 — CID 103387117

IUPAC2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
SMILESCc1cc(NC(C)CN)ccc1Br
InChIInChI=1S/C10H15BrN2/c1-7-5-9(3-4-10(7)11)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyQSNMUKCXXVKJBX-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.52
Rot. Bonds3

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

2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine (PubChem CID 103387117) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
PubChem CID103387117
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
SMILESCc1cc(NC(C)CN)ccc1Br
InChIInChI=1S/C10H15BrN2/c1-7-5-9(3-4-10(7)11)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyQSNMUKCXXVKJBX-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
methyl 3-(4-bromo-3-methylanilino)butanoate
CID 43536661
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
4-bromo-3-methyl-N-(4-methylpentyl)aniline
CID 83155859
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
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3-bromo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 63464565

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine (CID 103387117) is 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine is Cc1cc(NC(C)CN)ccc1Br.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine?
The InChIKey is QSNMUKCXXVKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7-5-9(3-4-10(7)11)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine?
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 103387117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).