N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine

C12H17BrN2 — CID 107582921

IUPACN-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)C2CC2)c1
InChIInChI=1S/C12H17BrN2/c1-8-4-10(13)6-11(5-8)15-12(7-14)9-2-3-9/h4-6,9,12,15H,2-3,7,14H2,1H3
InChIKeyGSSZTTKSFNOHHI-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.91
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine

N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 107582921) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
PubChem CID107582921
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)C2CC2)c1
InChIInChI=1S/C12H17BrN2/c1-8-4-10(13)6-11(5-8)15-12(7-14)9-2-3-9/h4-6,9,12,15H,2-3,7,14H2,1H3
InChIKeyGSSZTTKSFNOHHI-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 107582802
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
2-N-(3-bromo-5-methylphenyl)-3,5-dimethylhexane-1,2-diamine
CID 114200874
1-cyclopropyl-N-(5-methylpyridazin-3-yl)ethane-1,2-diamine
CID 106550192
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 107582876
2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
CID 79047274
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 65193383

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine (CID 107582921) is N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine is Cc1cc(Br)cc(NC(CN)C2CC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is GSSZTTKSFNOHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8-4-10(13)6-11(5-8)15-12(7-14)9-2-3-9/h4-6,9,12,15H,2-3,7,14H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine?
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 269.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 107582921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).