acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine

C14H26BrNO — CID 163254997

IUPACacetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine
SMILESCC.CC=O.CCNC.Cc1ccc(Br)cc1
InChIInChI=1S/C7H7Br.C3H9N.C2H4O.C2H6/c1-6-2-4-7(8)5-3-6;1-3-4-2;1-2-3;1-2/h2-5H,1H3;4H,3H2,1-2H3;2H,1H3;1-2H3
InChIKeyFCTSIBOQMIDHEH-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.21
Rot. Bonds1

About acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine

acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine (PubChem CID 163254997) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine.

Molecular Properties

Compound Nameacetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine
PubChem CID163254997
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Nameacetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine
SMILESCC.CC=O.CCNC.Cc1ccc(Br)cc1
InChIInChI=1S/C7H7Br.C3H9N.C2H4O.C2H6/c1-6-2-4-7(8)5-3-6;1-3-4-2;1-2-3;1-2/h2-5H,1H3;4H,3H2,1-2H3;2H,1H3;1-2H3
InChIKeyFCTSIBOQMIDHEH-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
1-bromo-4-methylbenzene;methylsulfinylmethane
CID 68778706
1-bromo-4-methylbenzene;butan-1-amine;ethane
CID 178163342
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
acetaldehyde;1-iodo-4-methylbenzene
CID 142221579
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine?
The IUPAC name of acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine (CID 163254997) is acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine.
What is the SMILES notation for acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine?
The canonical SMILES for acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine is CC.CC=O.CCNC.Cc1ccc(Br)cc1.
What is the InChIKey of acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine?
The InChIKey is FCTSIBOQMIDHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.C3H9N.C2H4O.C2H6/c1-6-2-4-7(8)5-3-6;1-3-4-2;1-2-3;1-2/h2-5H,1H3;4H,3H2,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine?
acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine has a molecular weight of 304.27 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine is sourced from PubChem (CID 163254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).