3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal

C24H27NO — CID 143968265

IUPAC3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal
SMILESCCC(C)(Cc1ccccc1)c1c(NCCC=O)ccc2ccccc12
InChIInChI=1S/C24H27NO/c1-3-24(2,18-19-10-5-4-6-11-19)23-21-13-8-7-12-20(21)14-15-22(23)25-16-9-17-26/h4-8,10-15,17,25H,3,9,16,18H2,1-2H3
InChIKeyISXWMQSTMLVQTQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.75
Rot. Bonds8

About 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal

3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal (PubChem CID 143968265) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal.

Molecular Properties

Compound Name3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal
PubChem CID143968265
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal
SMILESCCC(C)(Cc1ccccc1)c1c(NCCC=O)ccc2ccccc12
InChIInChI=1S/C24H27NO/c1-3-24(2,18-19-10-5-4-6-11-19)23-21-13-8-7-12-20(21)14-15-22(23)25-16-9-17-26/h4-8,10-15,17,25H,3,9,16,18H2,1-2H3
InChIKeyISXWMQSTMLVQTQ-UHFFFAOYSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine
CID 145488877
1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine
CID 145488822
N-methyl-1-[(E)-2-methyl-1,5-diphenylpent-4-en-2-yl]naphthalen-2-amine
CID 143655801
2-[4-[2-methyl-2-[2-(methylamino)naphthalen-1-yl]butyl]phenyl]benzonitrile
CID 145488850
1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine
CID 145488846
methanamine;naphthalene;3-phenylpropanal;propane
CID 144589315
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
3-[[1-[(E)-5-anilino-2-methyl-3-methylidenepent-4-en-2-yl]naphthalen-2-yl]amino]propanoic acid
CID 145488800
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
N-(2-methyl-2-phenylbutyl)formamide
CID 149429107
(2-ethyl-2-methylbutyl)benzene
CID 123641908
butanal;2-phenylacetaldehyde
CID 161135702

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal?
The IUPAC name of 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal (CID 143968265) is 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal.
What is the SMILES notation for 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal?
The canonical SMILES for 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal is CCC(C)(Cc1ccccc1)c1c(NCCC=O)ccc2ccccc12.
What is the InChIKey of 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal?
The InChIKey is ISXWMQSTMLVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-3-24(2,18-19-10-5-4-6-11-19)23-21-13-8-7-12-20(21)14-15-22(23)25-16-9-17-26/h4-8,10-15,17,25H,3,9,16,18H2,1-2H3.
What are the key properties of 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal?
3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal has a molecular weight of 345.49 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal is sourced from PubChem (CID 143968265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).