ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde

C13H24N2O — CID 143498965

IUPACethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
SMILESCC.CN.Cc1cccc(CNCC=O)c1
InChIInChI=1S/C10H13NO.C2H6.CH5N/c1-9-3-2-4-10(7-9)8-11-5-6-12;2*1-2/h2-4,6-7,11H,5,8H2,1H3;1-2H3;2H2,1H3
InChIKeyXMZYQLUDCBPVDZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.88
Rot. Bonds4

About ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde

ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde (PubChem CID 143498965) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde.

Molecular Properties

Compound Nameethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
PubChem CID143498965
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
SMILESCC.CN.Cc1cccc(CNCC=O)c1
InChIInChI=1S/C10H13NO.C2H6.CH5N/c1-9-3-2-4-10(7-9)8-11-5-6-12;2*1-2/h2-4,6-7,11H,5,8H2,1H3;1-2H3;2H2,1H3
InChIKeyXMZYQLUDCBPVDZ-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-4-[(3-methylphenyl)methylamino]but-2-enoic acid
CID 103239916
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde
CID 143831871
2-(benzylamino)acetaldehyde
CID 2769654
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
(3-methylphenyl)methylurea
CID 60776531
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-[(Z)-ethylideneamino]-1-(3-methylphenyl)methanamine
CID 155067915
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde?
The IUPAC name of ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde (CID 143498965) is ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde.
What is the SMILES notation for ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde?
The canonical SMILES for ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde is CC.CN.Cc1cccc(CNCC=O)c1.
What is the InChIKey of ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde?
The InChIKey is XMZYQLUDCBPVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6.CH5N/c1-9-3-2-4-10(7-9)8-11-5-6-12;2*1-2/h2-4,6-7,11H,5,8H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde?
ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde has a molecular weight of 224.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde is sourced from PubChem (CID 143498965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).