1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine

C14H21Br2N — CID 81474259

IUPAC1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H21Br2N/c1-4-6-7-14(17-5-2)11-9-12(15)10(3)8-13(11)16/h8-9,14,17H,4-7H2,1-3H3
InChIKeyYCRVSYCZOKCUCW-UHFFFAOYSA-N
MW363.14 g/mol
LogP5.36
Rot. Bonds6

About 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine

1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine (PubChem CID 81474259) 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-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
PubChem CID81474259
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H21Br2N/c1-4-6-7-14(17-5-2)11-9-12(15)10(3)8-13(11)16/h8-9,14,17H,4-7H2,1-3H3
InChIKeyYCRVSYCZOKCUCW-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.14
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methyloctan-1-amine
CID 81473844
1-(2,5-dibromo-4-methylphenyl)-N-methyldecan-1-amine
CID 81473717
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81472790
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
1,4-dibromo-2-(1-chloropentyl)-5-methylbenzene
CID 81473878
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine (CID 81474259) is 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine is CCCCC(NCC)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine?
The InChIKey is YCRVSYCZOKCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-4-6-7-14(17-5-2)11-9-12(15)10(3)8-13(11)16/h8-9,14,17H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine?
1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 5.36, 6 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-ethylpentan-1-amine is sourced from PubChem (CID 81474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).