[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide

C23H30BrNO2 — CID 45261576

IUPAC[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
SMILESBr.C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H29NO2.BrH/c1-3-17-24(2)18-9-4-5-10-19-26-22-15-13-21(14-16-22)23(25)20-11-7-6-8-12-20;/h3,6-8,11-16H,1,4-5,9-10,17-19H2,2H3;1H
InChIKeyIIAAIEBACOSDCP-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.55
Rot. Bonds12

About [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide

[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide (PubChem CID 45261576) has the molecular formula C23H30BrNO2 and a molecular weight of 432.40 g/mol. Its IUPAC name is [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide.

Molecular Properties

Compound Name[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
PubChem CID45261576
Molecular FormulaC23H30BrNO2
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
SMILESBr.C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H29NO2.BrH/c1-3-17-24(2)18-9-4-5-10-19-26-22-15-13-21(14-16-22)23(25)20-11-7-6-8-12-20;/h3,6-8,11-16H,1,4-5,9-10,17-19H2,2H3;1H
InChIKeyIIAAIEBACOSDCP-UHFFFAOYSA-N
XLogP5.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone;hydrobromide
CID 19043714
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone
CID 19043715
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
[4-[3-[methyl(octadecyl)amino]propoxy]phenyl]-phenylmethanone
CID 118461102
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
(4-bromophenyl)-[2-(dimethylamino)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone;hydrochloride
CID 18434159
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614271
(4-bromophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]-2-methylsulfanylphenyl]methanone;(E)-but-2-enedioic acid
CID 18434294
1-methyl-1-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-3-phenylthiourea
CID 23446596

Frequently Asked Questions

What is the IUPAC name of [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide?
The IUPAC name of [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide (CID 45261576) is [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide.
What is the SMILES notation for [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide?
The canonical SMILES for [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide is Br.C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide?
The InChIKey is IIAAIEBACOSDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.BrH/c1-3-17-24(2)18-9-4-5-10-19-26-22-15-13-21(14-16-22)23(25)20-11-7-6-8-12-20;/h3,6-8,11-16H,1,4-5,9-10,17-19H2,2H3;1H.
What are the key properties of [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide?
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide has a molecular weight of 432.40 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide is sourced from PubChem (CID 45261576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).