1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine

C16H26BrN — CID 114013851

IUPAC1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H26BrN/c1-6-8-11(3)16(18-7-2)14-9-12(4)15(17)13(5)10-14/h9-11,16,18H,6-8H2,1-5H3
InChIKeyPZYBNRTWLOBTLH-UHFFFAOYSA-N
MW312.30 g/mol
LogP5.15
Rot. Bonds6

About 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine

1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 114013851) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
PubChem CID114013851
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H26BrN/c1-6-8-11(3)16(18-7-2)14-9-12(4)15(17)13(5)10-14/h9-11,16,18H,6-8H2,1-5H3
InChIKeyPZYBNRTWLOBTLH-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893798
1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 107893070
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-2-methylpentan-1-amine
CID 107896833
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
1-(4-bromo-3,5-dimethylphenyl)-N-ethylprop-2-en-1-amine
CID 114330650
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine (CID 114013851) is 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is PZYBNRTWLOBTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-6-8-11(3)16(18-7-2)14-9-12(4)15(17)13(5)10-14/h9-11,16,18H,6-8H2,1-5H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine?
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 114013851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).