3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde

C19H24N2O — CID 87559420

IUPAC3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde
SMILESCc1ccccc1-c1cc(C=O)cc(NCCCN(C)C)c1
InChIInChI=1S/C19H24N2O/c1-15-7-4-5-8-19(15)17-11-16(14-22)12-18(13-17)20-9-6-10-21(2)3/h4-5,7-8,11-14,20H,6,9-10H2,1-3H3
InChIKeyOUXDPHDCFAKOFW-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.84
Rot. Bonds7

About 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde

3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde (PubChem CID 87559420) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde
PubChem CID87559420
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde
SMILESCc1ccccc1-c1cc(C=O)cc(NCCCN(C)C)c1
InChIInChI=1S/C19H24N2O/c1-15-7-4-5-8-19(15)17-11-16(14-22)12-18(13-17)20-9-6-10-21(2)3/h4-5,7-8,11-14,20H,6,9-10H2,1-3H3
InChIKeyOUXDPHDCFAKOFW-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
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

3-[2-[(dimethylamino)methyl]-4-methoxyphenyl]-1-[3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)phenyl]prop-2-en-1-one
CID 68743337
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde
CID 86601008
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione;hydrochloride
CID 138111169
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
1,4-bis[3-(dimethylamino)propylamino]benzo[g]phthalazine-5,10-dione;trihydrochloride
CID 19811416
N-[(3-fluoro-4-methylphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63646355
3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylphenyl)benzaldehyde
CID 87558528

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde (CID 87559420) is 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde is Cc1ccccc1-c1cc(C=O)cc(NCCCN(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde?
The InChIKey is OUXDPHDCFAKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-7-4-5-8-19(15)17-11-16(14-22)12-18(13-17)20-9-6-10-21(2)3/h4-5,7-8,11-14,20H,6,9-10H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde?
3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde has a molecular weight of 296.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde is sourced from PubChem (CID 87559420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).