1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

C15H25BrN2 — CID 66474428

IUPAC1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)C(C)C(C)C)ccc1Br
InChIInChI=1S/C15H25BrN2/c1-10(2)12(4)18(5)15(9-17)13-6-7-14(16)11(3)8-13/h6-8,10,12,15H,9,17H2,1-5H3
InChIKeyOGIOXMAMOQXKBA-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 66474428) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID66474428
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)C(C)C(C)C)ccc1Br
InChIInChI=1S/C15H25BrN2/c1-10(2)12(4)18(5)15(9-17)13-6-7-14(16)11(3)8-13/h6-8,10,12,15H,9,17H2,1-5H3
InChIKeyOGIOXMAMOQXKBA-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(dimethylamino)phenyl]-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569818
1-(3,5-difluorophenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 106528519
1-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 66473046
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
2-bromo-2-(4-bromo-3-methylphenyl)-N,N-dimethylethanamine
CID 90679723
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
1-(4-bromo-3-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 66474823
1-(4-bromo-3-methylphenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 66475033
5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
CID 81421956
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66472244
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 66474428) is 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is Cc1cc(C(CN)N(C)C(C)C(C)C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is OGIOXMAMOQXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-10(2)12(4)18(5)15(9-17)13-6-7-14(16)11(3)8-13/h6-8,10,12,15H,9,17H2,1-5H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 66474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).