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

C12H17BrN2 — CID 66475041

IUPAC1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
SMILESCc1cc(C(CN)NC2CC2)ccc1Br
InChIInChI=1S/C12H17BrN2/c1-8-6-9(2-5-11(8)13)12(7-14)15-10-3-4-10/h2,5-6,10,12,15H,3-4,7,14H2,1H3
InChIKeyMQGAZWCBHOOEEL-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.51
Rot. Bonds4

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

1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine (PubChem CID 66475041) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
PubChem CID66475041
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
SMILESCc1cc(C(CN)NC2CC2)ccc1Br
InChIInChI=1S/C12H17BrN2/c1-8-6-9(2-5-11(8)13)12(7-14)15-10-3-4-10/h2,5-6,10,12,15H,3-4,7,14H2,1H3
InChIKeyMQGAZWCBHOOEEL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83010618
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528632
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154
N-cyclopropyl-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 62070690
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 55030697

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine (CID 66475041) is 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine is Cc1cc(C(CN)NC2CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is MQGAZWCBHOOEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8-6-9(2-5-11(8)13)12(7-14)15-10-3-4-10/h2,5-6,10,12,15H,3-4,7,14H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine?
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 269.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 66475041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).