1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine

C15H22BrN — CID 114474584

IUPAC1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccccc1Br)NCC
InChIInChI=1S/C15H22BrN/c1-4-17-14(10-9-12(2)3)11-13-7-5-6-8-15(13)16/h5-8,14,17H,2,4,9-11H2,1,3H3
InChIKeyZZTWETODRPRPPD-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.33
Rot. Bonds7

About 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine

1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine (PubChem CID 114474584) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
PubChem CID114474584
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccccc1Br)NCC
InChIInChI=1S/C15H22BrN/c1-4-17-14(10-9-12(2)3)11-13-7-5-6-8-15(13)16/h5-8,14,17H,2,4,9-11H2,1,3H3
InChIKeyZZTWETODRPRPPD-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine (CID 114474584) is 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine is C=C(C)CCC(Cc1ccccc1Br)NCC.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine?
The InChIKey is ZZTWETODRPRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-4-17-14(10-9-12(2)3)11-13-7-5-6-8-15(13)16/h5-8,14,17H,2,4,9-11H2,1,3H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine?
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine has a molecular weight of 296.25 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine is sourced from PubChem (CID 114474584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).