(2S)-2-amino-3-anthracen-9-ylpropanal

C17H15NO — CID 126702373

IUPAC(2S)-2-amino-3-anthracen-9-ylpropanal
SMILESN[C@H](C=O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15NO/c18-14(11-19)10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,11,14H,10,18H2/t14-/m0/s1
InChIKeyIQVUTVNLSVOQFG-AWEZNQCLSA-N
MW249.31 g/mol
LogP3.06
Rot. Bonds3

About (2S)-2-amino-3-anthracen-9-ylpropanal

(2S)-2-amino-3-anthracen-9-ylpropanal (PubChem CID 126702373) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-amino-3-anthracen-9-ylpropanal.

Molecular Properties

Compound Name(2S)-2-amino-3-anthracen-9-ylpropanal
PubChem CID126702373
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(2S)-2-amino-3-anthracen-9-ylpropanal
SMILESN[C@H](C=O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15NO/c18-14(11-19)10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,11,14H,10,18H2/t14-/m0/s1
InChIKeyIQVUTVNLSVOQFG-AWEZNQCLSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
1-anthracen-9-ylpropan-2-ol
CID 19889136
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen
CID 145052892
anthracen-9-ylmethyloxidanium
CID 143222944
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
(2R)-2-amino-3-(1-oxidopyridin-1-ium-3-yl)propanal
CID 87362902
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-anthracen-9-ylpropanal?
The IUPAC name of (2S)-2-amino-3-anthracen-9-ylpropanal (CID 126702373) is (2S)-2-amino-3-anthracen-9-ylpropanal.
What is the SMILES notation for (2S)-2-amino-3-anthracen-9-ylpropanal?
The canonical SMILES for (2S)-2-amino-3-anthracen-9-ylpropanal is N[C@H](C=O)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of (2S)-2-amino-3-anthracen-9-ylpropanal?
The InChIKey is IQVUTVNLSVOQFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO/c18-14(11-19)10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,11,14H,10,18H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-anthracen-9-ylpropanal?
(2S)-2-amino-3-anthracen-9-ylpropanal has a molecular weight of 249.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-anthracen-9-ylpropanal is sourced from PubChem (CID 126702373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).