1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C16H23Br2N — CID 81473394

IUPAC1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc(Br)c(C)cc1Br)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H23Br2N/c1-9-7-12(18)10(8-11(9)17)13(19-6)14-15(2,3)16(14,4)5/h7-8,13-14,19H,1-6H3
InChIKeySWMSEQORJZJGPH-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.46
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 81473394) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID81473394
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc(Br)c(C)cc1Br)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H23Br2N/c1-9-7-12(18)10(8-11(9)17)13(19-6)14-15(2,3)16(14,4)5/h7-8,13-14,19H,1-6H3
InChIKeySWMSEQORJZJGPH-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66477637
1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105010764
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81474158
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 66478016
1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115850452
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724
1-(2,5-dibromo-4-methylphenyl)-N-methyldecan-1-amine
CID 81473717
1-(2,5-dibromo-4-methylphenyl)-N-methyloctan-1-amine
CID 81473844
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892754

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 81473394) is 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1cc(Br)c(C)cc1Br)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is SWMSEQORJZJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-9-7-12(18)10(8-11(9)17)13(19-6)14-15(2,3)16(14,4)5/h7-8,13-14,19H,1-6H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 389.18 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 81473394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).