6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde

C17H20N2O2 — CID 87406660

IUPAC6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde
SMILESCC(C)[C@H](N)c1nc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(2)16(18)17-15(9-8-14(10-20)19-17)21-11-13-6-4-3-5-7-13/h3-10,12,16H,11,18H2,1-2H3/t16-/m0/s1
InChIKeyUZAFZQIJTZYDOC-INIZCTEOSA-N
MW284.36 g/mol
LogP3.13
Rot. Bonds6

About 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde

6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde (PubChem CID 87406660) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde
PubChem CID87406660
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde
SMILESCC(C)[C@H](N)c1nc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(2)16(18)17-15(9-8-14(10-20)19-17)21-11-13-6-4-3-5-7-13/h3-10,12,16H,11,18H2,1-2H3/t16-/m0/s1
InChIKeyUZAFZQIJTZYDOC-INIZCTEOSA-N
XLogP3.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde
CID 87405739
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde
CID 154125025
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-methyl-1-(4-phenylmethoxy-2-pyridinyl)propan-1-amine
CID 138675989
3-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120839792
N-(6-formyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 15239996
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride
CID 122199601

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The IUPAC name of 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde (CID 87406660) is 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde is CC(C)[C@H](N)c1nc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The InChIKey is UZAFZQIJTZYDOC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)16(18)17-15(9-8-14(10-20)19-17)21-11-13-6-4-3-5-7-13/h3-10,12,16H,11,18H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde is sourced from PubChem (CID 87406660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).