1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine

C14H21Br2N — CID 81472790

IUPAC1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H21Br2N/c1-5-17-14(6-9(2)3)11-8-12(15)10(4)7-13(11)16/h7-9,14,17H,5-6H2,1-4H3
InChIKeyFEZRSHIEGMORTP-UHFFFAOYSA-N
MW363.14 g/mol
LogP5.22
Rot. Bonds5

About 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine

1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 81472790) has the molecular formula C14H21Br2N and a molecular weight of 363.14 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID81472790
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H21Br2N/c1-5-17-14(6-9(2)3)11-8-12(15)10(4)7-13(11)16/h7-9,14,17H,5-6H2,1-4H3
InChIKeyFEZRSHIEGMORTP-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.14
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
CID 81474259
1-(2,5-dibromo-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752640
1-(2,5-dibromo-4-methylphenyl)-N-ethylnonan-1-amine
CID 81474155
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467
N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 43490965
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-[(2,5-dibromo-4-methylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820382
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 81472919
N-[(2,5-dibromo-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 81473949
N-[(2,5-dibromo-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81472935
1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine (CID 81472790) is 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is FEZRSHIEGMORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-5-17-14(6-9(2)3)11-8-12(15)10(4)7-13(11)16/h7-9,14,17H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine?
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 5.22, 5 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-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 81472790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).