5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde

C15H17NO2 — CID 114054145

IUPAC5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
SMILESCc1ccc(N(C)Cc2ccc(C)o2)c(C=O)c1
InChIInChI=1S/C15H17NO2/c1-11-4-7-15(13(8-11)10-17)16(3)9-14-6-5-12(2)18-14/h4-8,10H,9H2,1-3H3
InChIKeyXMVFQWFDPRMALN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.35
Rot. Bonds4

About 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde

5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde (PubChem CID 114054145) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
PubChem CID114054145
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
SMILESCc1ccc(N(C)Cc2ccc(C)o2)c(C=O)c1
InChIInChI=1S/C15H17NO2/c1-11-4-7-15(13(8-11)10-17)16(3)9-14-6-5-12(2)18-14/h4-8,10H,9H2,1-3H3
InChIKeyXMVFQWFDPRMALN-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Furalaxyl
CID 42504
Mls000758512
CID 332769
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
5-Methyl-1-[2-(4-methylphenoxy)ethyl]indole-2,3-dione
CID 2145489
1-(2,4-Dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826692
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
4-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24240781
Oxamide, N-furfuryl-N'-(2,4-dimethylphenyl)-
CID 565940
N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 662829
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-furylmethyl)cyclohexanecarboxamide
CID 645163
N-[4-(dimethylamino)benzyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 16013214

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The IUPAC name of 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde (CID 114054145) is 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde is Cc1ccc(N(C)Cc2ccc(C)o2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The InChIKey is XMVFQWFDPRMALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-4-7-15(13(8-11)10-17)16(3)9-14-6-5-12(2)18-14/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 114054145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).