3-[4-(tert-butylamino)anilino]benzaldehyde

C17H20N2O — CID 168860115

IUPAC3-[4-(tert-butylamino)anilino]benzaldehyde
SMILESCC(C)(C)Nc1ccc(Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)19-15-9-7-14(8-10-15)18-16-6-4-5-13(11-16)12-20/h4-12,18-19H,1-3H3
InChIKeySOVWBBGMBVRBON-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.45
Rot. Bonds4

About 3-[4-(tert-butylamino)anilino]benzaldehyde

3-[4-(tert-butylamino)anilino]benzaldehyde (PubChem CID 168860115) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[4-(tert-butylamino)anilino]benzaldehyde.

Molecular Properties

Compound Name3-[4-(tert-butylamino)anilino]benzaldehyde
PubChem CID168860115
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[4-(tert-butylamino)anilino]benzaldehyde
SMILESCC(C)(C)Nc1ccc(Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)19-15-9-7-14(8-10-15)18-16-6-4-5-13(11-16)12-20/h4-12,18-19H,1-3H3
InChIKeySOVWBBGMBVRBON-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
azane;3-hydrazinylbenzaldehyde
CID 142389846
3-(2-fluoroethylamino)benzaldehyde
CID 84652613
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456
3-(2-methoxyethylamino)benzaldehyde
CID 88893508
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
3-(pentan-2-ylamino)benzaldehyde
CID 107887286
[3-(tert-butylamino)phenyl] formate
CID 140940937
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
3-(tetradec-4-enylamino)benzaldehyde
CID 54044389
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylamino)anilino]benzaldehyde?
The IUPAC name of 3-[4-(tert-butylamino)anilino]benzaldehyde (CID 168860115) is 3-[4-(tert-butylamino)anilino]benzaldehyde.
What is the SMILES notation for 3-[4-(tert-butylamino)anilino]benzaldehyde?
The canonical SMILES for 3-[4-(tert-butylamino)anilino]benzaldehyde is CC(C)(C)Nc1ccc(Nc2cccc(C=O)c2)cc1.
What is the InChIKey of 3-[4-(tert-butylamino)anilino]benzaldehyde?
The InChIKey is SOVWBBGMBVRBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)19-15-9-7-14(8-10-15)18-16-6-4-5-13(11-16)12-20/h4-12,18-19H,1-3H3.
What are the key properties of 3-[4-(tert-butylamino)anilino]benzaldehyde?
3-[4-(tert-butylamino)anilino]benzaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylamino)anilino]benzaldehyde is sourced from PubChem (CID 168860115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).