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

C16H18N2O2 — CID 87405739

IUPAC6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde
SMILESCC[C@H](N)c1nc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-14(17)16-15(9-8-13(10-19)18-16)20-11-12-6-4-3-5-7-12/h3-10,14H,2,11,17H2,1H3/t14-/m0/s1
InChIKeySEXXXDBDAQWFLR-AWEZNQCLSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds6

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

6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde (PubChem CID 87405739) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde
PubChem CID87405739
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde
SMILESCC[C@H](N)c1nc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-14(17)16-15(9-8-13(10-19)18-16)20-11-12-6-4-3-5-7-12/h3-10,14H,2,11,17H2,1H3/t14-/m0/s1
InChIKeySEXXXDBDAQWFLR-AWEZNQCLSA-N
XLogP2.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
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-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde
CID 87406660
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
4-(1-aminopropyl)-2-phenylmethoxybenzoic acid
CID 123417616
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
CID 102545461
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The IUPAC name of 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde (CID 87405739) is 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde is CC[C@H](N)c1nc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The InChIKey is SEXXXDBDAQWFLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-14(17)16-15(9-8-13(10-19)18-16)20-11-12-6-4-3-5-7-12/h3-10,14H,2,11,17H2,1H3/t14-/m0/s1.
What are the key properties of 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde?
6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde is sourced from PubChem (CID 87405739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).