1-(2,4-dibromophenyl)-N-ethylnonan-1-amine

C17H27Br2N — CID 107945403

IUPAC1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1ccc(Br)cc1Br
InChIInChI=1S/C17H27Br2N/c1-3-5-6-7-8-9-10-17(20-4-2)15-12-11-14(18)13-16(15)19/h11-13,17,20H,3-10H2,1-2H3
InChIKeyVGBSZUHINZNSPQ-UHFFFAOYSA-N
MW405.22 g/mol
LogP6.61
Rot. Bonds10

About 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine

1-(2,4-dibromophenyl)-N-ethylnonan-1-amine (PubChem CID 107945403) has the molecular formula C17H27Br2N and a molecular weight of 405.22 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
PubChem CID107945403
Molecular FormulaC17H27Br2N
Molecular Weight405.22 g/mol
Exact Mass403.05
IUPAC Name1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1ccc(Br)cc1Br
InChIInChI=1S/C17H27Br2N/c1-3-5-6-7-8-9-10-17(20-4-2)15-12-11-14(18)13-16(15)19/h11-13,17,20H,3-10H2,1-2H3
InChIKeyVGBSZUHINZNSPQ-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.22
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(5-bromo-2-chlorophenyl)-N-ethyloctan-1-amine
CID 115832368
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(2,5-dibromo-4-methylphenyl)-N-ethylnonan-1-amine
CID 81474155
1-(2,5-dibromo-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752640
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693
1-(2-chloro-4-methylphenyl)-N-ethyloctan-1-amine
CID 106857215
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
CID 107992534

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine (CID 107945403) is 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine is CCCCCCCCC(NCC)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine?
The InChIKey is VGBSZUHINZNSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Br2N/c1-3-5-6-7-8-9-10-17(20-4-2)15-12-11-14(18)13-16(15)19/h11-13,17,20H,3-10H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine?
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine has a molecular weight of 405.22 g/mol, XLogP of 6.61, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-ethylnonan-1-amine is sourced from PubChem (CID 107945403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).