(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal

C10H14N2O — CID 169024938

IUPAC(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal
SMILESNCc1cccc(C[C@@H](N)C=O)c1
InChIInChI=1S/C10H14N2O/c11-6-9-3-1-2-8(4-9)5-10(12)7-13/h1-4,7,10H,5-6,11-12H2/t10-/m1/s1
InChIKeyPCIRNXHTQCCGIK-SNVBAGLBSA-N
MW178.23 g/mol
LogP0.21
Rot. Bonds4

About (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal

(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal (PubChem CID 169024938) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal
PubChem CID169024938
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal
SMILESNCc1cccc(C[C@@H](N)C=O)c1
InChIInChI=1S/C10H14N2O/c11-6-9-3-1-2-8(4-9)5-10(12)7-13/h1-4,7,10H,5-6,11-12H2/t10-/m1/s1
InChIKeyPCIRNXHTQCCGIK-SNVBAGLBSA-N
XLogP0.21
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-methylphenyl)propanal
CID 82415099
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
2-amino-3-(3,4-difluorophenyl)propanal
CID 23499806
2-methylpropanal;phenylmethanamine
CID 145350401
(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621
(2R)-2-amino-3-(1-oxidopyridin-1-ium-3-yl)propanal
CID 87362902
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
[3-(bromomethyl)phenyl]methanamine
CID 67540206
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(fluoromethyl)phenyl]methanamine
CID 58789244

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal?
The IUPAC name of (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal (CID 169024938) is (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal.
What is the SMILES notation for (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal?
The canonical SMILES for (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal is NCc1cccc(C[C@@H](N)C=O)c1.
What is the InChIKey of (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal?
The InChIKey is PCIRNXHTQCCGIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O/c11-6-9-3-1-2-8(4-9)5-10(12)7-13/h1-4,7,10H,5-6,11-12H2/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal?
(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal has a molecular weight of 178.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal is sourced from PubChem (CID 169024938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).