3-(anilinomethyl)benzaldehyde

C14H13NO — CID 87371298

IUPAC3-(anilinomethyl)benzaldehyde
SMILESO=Cc1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H13NO/c16-11-13-6-4-5-12(9-13)10-15-14-7-2-1-3-8-14/h1-9,11,15H,10H2
InChIKeyNNRBAYFKICAJPT-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.11
Rot. Bonds4

About 3-(anilinomethyl)benzaldehyde

3-(anilinomethyl)benzaldehyde (PubChem CID 87371298) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(anilinomethyl)benzaldehyde.

Molecular Properties

Compound Name3-(anilinomethyl)benzaldehyde
PubChem CID87371298
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(anilinomethyl)benzaldehyde
SMILESO=Cc1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H13NO/c16-11-13-6-4-5-12(9-13)10-15-14-7-2-1-3-8-14/h1-9,11,15H,10H2
InChIKeyNNRBAYFKICAJPT-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(naphthalen-2-ylmethylamino)benzaldehyde
CID 142658488
3-(methylaminomethyl)benzaldehyde
CID 20724862
3-(ethylaminomethyl)benzaldehyde
CID 90105279
CID 163931246
CID 163931246
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
3-(2-oxoethyl)benzaldehyde
CID 54321672
N-benzyl-3-(benzylideneamino)aniline
CID 102345813
3-[[(2-sulfanylphenyl)methylamino]methyl]benzaldehyde
CID 142303725
(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
CID 139368358
3-benzylbenzaldehyde;(3-benzylphenyl)methanol
CID 160613010
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-(2-fluoroethylamino)benzaldehyde
CID 84652613

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)benzaldehyde?
The IUPAC name of 3-(anilinomethyl)benzaldehyde (CID 87371298) is 3-(anilinomethyl)benzaldehyde.
What is the SMILES notation for 3-(anilinomethyl)benzaldehyde?
The canonical SMILES for 3-(anilinomethyl)benzaldehyde is O=Cc1cccc(CNc2ccccc2)c1.
What is the InChIKey of 3-(anilinomethyl)benzaldehyde?
The InChIKey is NNRBAYFKICAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-11-13-6-4-5-12(9-13)10-15-14-7-2-1-3-8-14/h1-9,11,15H,10H2.
What are the key properties of 3-(anilinomethyl)benzaldehyde?
3-(anilinomethyl)benzaldehyde has a molecular weight of 211.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)benzaldehyde is sourced from PubChem (CID 87371298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).