3-[2-[methyl(propan-2-yl)amino]phenyl]propanal

C13H19NO — CID 176690598

IUPAC3-[2-[methyl(propan-2-yl)amino]phenyl]propanal
SMILESCC(C)N(C)c1ccccc1CCC=O
InChIInChI=1S/C13H19NO/c1-11(2)14(3)13-9-5-4-7-12(13)8-6-10-15/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyFSEOTVMWKFDJFS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds5

About 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal

3-[2-[methyl(propan-2-yl)amino]phenyl]propanal (PubChem CID 176690598) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal.

Molecular Properties

Compound Name3-[2-[methyl(propan-2-yl)amino]phenyl]propanal
PubChem CID176690598
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[2-[methyl(propan-2-yl)amino]phenyl]propanal
SMILESCC(C)N(C)c1ccccc1CCC=O
InChIInChI=1S/C13H19NO/c1-11(2)14(3)13-9-5-4-7-12(13)8-6-10-15/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyFSEOTVMWKFDJFS-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
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

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3-(2-methylphenyl)propanal
CID 15191870
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline
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2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387
3-(2-trimethylsilylphenyl)propanal
CID 54297414
4,4-dimethyl-2-[[2-[methyl(propan-2-yl)amino]phenyl]methylsulfinyl]-1H-imidazole-5-thione
CID 18922614
3-(2-butylphenyl)propanal;propanal
CID 175603438
N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 142638035
N-methyl-N-(3-methylpentan-2-yl)-2-pentylaniline
CID 123483024
3-[3-fluoro-2-(1-fluoroethyl)phenyl]propanal
CID 117287739

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal?
The IUPAC name of 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal (CID 176690598) is 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal.
What is the SMILES notation for 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal?
The canonical SMILES for 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal is CC(C)N(C)c1ccccc1CCC=O.
What is the InChIKey of 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal?
The InChIKey is FSEOTVMWKFDJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)14(3)13-9-5-4-7-12(13)8-6-10-15/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal?
3-[2-[methyl(propan-2-yl)amino]phenyl]propanal has a molecular weight of 205.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(propan-2-yl)amino]phenyl]propanal is sourced from PubChem (CID 176690598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).