(2S)-2-[(4-methoxyphenyl)methylamino]propanal

C11H15NO2 — CID 151027433

IUPAC(2S)-2-[(4-methoxyphenyl)methylamino]propanal
SMILESCOc1ccc(CN[C@@H](C)C=O)cc1
InChIInChI=1S/C11H15NO2/c1-9(8-13)12-7-10-3-5-11(14-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t9-/m0/s1
InChIKeyLZILWCDYEIGVKF-VIFPVBQESA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds5

About (2S)-2-[(4-methoxyphenyl)methylamino]propanal

(2S)-2-[(4-methoxyphenyl)methylamino]propanal (PubChem CID 151027433) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methylamino]propanal.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methylamino]propanal
PubChem CID151027433
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-[(4-methoxyphenyl)methylamino]propanal
SMILESCOc1ccc(CN[C@@H](C)C=O)cc1
InChIInChI=1S/C11H15NO2/c1-9(8-13)12-7-10-3-5-11(14-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t9-/m0/s1
InChIKeyLZILWCDYEIGVKF-VIFPVBQESA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
1-[(4-methoxyphenyl)methylamino]ethanesulfinic acid
CID 174954701
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal
CID 88983748
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methylamino]propanal?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methylamino]propanal (CID 151027433) is (2S)-2-[(4-methoxyphenyl)methylamino]propanal.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methylamino]propanal?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methylamino]propanal is COc1ccc(CN[C@@H](C)C=O)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methylamino]propanal?
The InChIKey is LZILWCDYEIGVKF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(8-13)12-7-10-3-5-11(14-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methylamino]propanal?
(2S)-2-[(4-methoxyphenyl)methylamino]propanal has a molecular weight of 193.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methylamino]propanal is sourced from PubChem (CID 151027433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).