(2S)-2-(methylamino)-3-phenylpropanal

C10H13NO — CID 22820878

IUPAC(2S)-2-(methylamino)-3-phenylpropanal
SMILESCN[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-11-10(8-12)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t10-/m0/s1
InChIKeyBLRYMASXIVIWMJ-JTQLQIEISA-N
MW163.22 g/mol
LogP1.02
Rot. Bonds4

About (2S)-2-(methylamino)-3-phenylpropanal

(2S)-2-(methylamino)-3-phenylpropanal (PubChem CID 22820878) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-phenylpropanal.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-phenylpropanal
PubChem CID22820878
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-(methylamino)-3-phenylpropanal
SMILESCN[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-11-10(8-12)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t10-/m0/s1
InChIKeyBLRYMASXIVIWMJ-JTQLQIEISA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.02
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

2-(ethylamino)-3-phenylpropanal
CID 3325220
3-(3,4-dimethylphenyl)-2-(methylamino)propanal
CID 168758829
N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
CID 170261831
(2S)-3-(1H-indol-2-yl)-2-(methylamino)propanal
CID 135189875
(2S)-3-phenyl-2-[tritio(trityl)amino]propanal
CID 173343799
3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane
CID 143339611
acetaldehyde;N-methyl-1-phenylbutan-2-amine
CID 156726962
ethane;3-(methylamino)-4-phenylbutanal
CID 91231416
2-bromo-3-phenylpropanal;ethane
CID 90858202
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
N-methyl-1-phenylpropan-2-amine
CID 118309477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-phenylpropanal?
The IUPAC name of (2S)-2-(methylamino)-3-phenylpropanal (CID 22820878) is (2S)-2-(methylamino)-3-phenylpropanal.
What is the SMILES notation for (2S)-2-(methylamino)-3-phenylpropanal?
The canonical SMILES for (2S)-2-(methylamino)-3-phenylpropanal is CN[C@H](C=O)Cc1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-3-phenylpropanal?
The InChIKey is BLRYMASXIVIWMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO/c1-11-10(8-12)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-phenylpropanal?
(2S)-2-(methylamino)-3-phenylpropanal has a molecular weight of 163.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-phenylpropanal is sourced from PubChem (CID 22820878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).