ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde

C14H24N2O — CID 169136376

IUPACethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde
SMILESCC.CNc1cc(C)ccc1CN(C)CC=O
InChIInChI=1S/C12H18N2O.C2H6/c1-10-4-5-11(12(8-10)13-2)9-14(3)6-7-15;1-2/h4-5,7-8,13H,6,9H2,1-3H3;1-2H3
InChIKeyURTGMOWYGSRIEO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.69
Rot. Bonds5

About ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde

ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde (PubChem CID 169136376) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde.

Molecular Properties

Compound Nameethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde
PubChem CID169136376
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde
SMILESCC.CNc1cc(C)ccc1CN(C)CC=O
InChIInChI=1S/C12H18N2O.C2H6/c1-10-4-5-11(12(8-10)13-2)9-14(3)6-7-15;1-2/h4-5,7-8,13H,6,9H2,1-3H3;1-2H3
InChIKeyURTGMOWYGSRIEO-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[4-methyl-2-(methylamino)phenyl]formamide
CID 142044757
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050
(E)-4-[(2,4-dimethylphenyl)methyl-methylamino]but-2-enoic acid
CID 115237184
cyclopentane;N-[(2,5-dimethylphenyl)methyl]-N-methylformamide;ethane;methanol
CID 145338686
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223032
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212798
2-[(2-ethyl-5-methylphenoxy)methyl]-N-methylaniline;propanal
CID 144932555
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
ethane;S-[5-methyl-2-(methylamino)phenyl] methanethioate
CID 142337578
N,2-diethyl-5-methylaniline;ethane
CID 143835073
1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea
CID 155602342

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde?
The IUPAC name of ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde (CID 169136376) is ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde.
What is the SMILES notation for ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde?
The canonical SMILES for ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde is CC.CNc1cc(C)ccc1CN(C)CC=O.
What is the InChIKey of ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde?
The InChIKey is URTGMOWYGSRIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-10-4-5-11(12(8-10)13-2)9-14(3)6-7-15;1-2/h4-5,7-8,13H,6,9H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde?
ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde has a molecular weight of 236.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde is sourced from PubChem (CID 169136376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).