4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde

C17H16N2O — CID 178072305

IUPAC4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
SMILESO=Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H16N2O/c20-12-14-3-1-13(2-4-14)10-18-11-15-5-6-17-16(9-15)7-8-19-17/h1-9,12,18-19H,10-11H2
InChIKeyWPLJWCUMIQGWKX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.27
Rot. Bonds5

About 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde

4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde (PubChem CID 178072305) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
PubChem CID178072305
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
SMILESO=Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H16N2O/c20-12-14-3-1-13(2-4-14)10-18-11-15-5-6-17-16(9-15)7-8-19-17/h1-9,12,18-19H,10-11H2
InChIKeyWPLJWCUMIQGWKX-UHFFFAOYSA-N
XLogP3.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102910898
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 17221715
1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 102910896
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
1-(1H-indol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 102910805

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde?
The IUPAC name of 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde (CID 178072305) is 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde.
What is the SMILES notation for 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde?
The canonical SMILES for 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde is O=Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde?
The InChIKey is WPLJWCUMIQGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-12-14-3-1-13(2-4-14)10-18-11-15-5-6-17-16(9-15)7-8-19-17/h1-9,12,18-19H,10-11H2.
What are the key properties of 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde?
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde has a molecular weight of 264.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde is sourced from PubChem (CID 178072305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).