2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal

C26H27NO — CID 57185914

IUPAC2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal
SMILESO=CC(CC1CCCc2ccccc21)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO/c28-20-25(18-23-14-9-13-22-12-7-8-17-26(22)23)27(24-15-5-2-6-16-24)19-21-10-3-1-4-11-21/h1-8,10-12,15-17,20,23,25H,9,13-14,18-19H2
InChIKeySWZKWMDLRSXEPJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.77
Rot. Bonds7

About 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal

2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal (PubChem CID 57185914) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal.

Molecular Properties

Compound Name2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal
PubChem CID57185914
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal
SMILESO=CC(CC1CCCc2ccccc21)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO/c28-20-25(18-23-14-9-13-22-12-7-8-17-26(22)23)27(24-15-5-2-6-16-24)19-21-10-3-1-4-11-21/h1-8,10-12,15-17,20,23,25H,9,13-14,18-19H2
InChIKeySWZKWMDLRSXEPJ-UHFFFAOYSA-N
XLogP5.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
CID 64663678
[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 57286151
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 105244036
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal?
The IUPAC name of 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal (CID 57185914) is 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal.
What is the SMILES notation for 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal?
The canonical SMILES for 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal is O=CC(CC1CCCc2ccccc21)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal?
The InChIKey is SWZKWMDLRSXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c28-20-25(18-23-14-9-13-22-12-7-8-17-26(22)23)27(24-15-5-2-6-16-24)19-21-10-3-1-4-11-21/h1-8,10-12,15-17,20,23,25H,9,13-14,18-19H2.
What are the key properties of 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal?
2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal has a molecular weight of 369.51 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal is sourced from PubChem (CID 57185914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).