4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine

C20H28N2O3 — CID 174210532

IUPAC4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine
SMILESCc1cc(OC(C)CCOCCCOCc2ccccc2)ncc1N
InChIInChI=1S/C20H28N2O3/c1-16-13-20(22-14-19(16)21)25-17(2)9-12-23-10-6-11-24-15-18-7-4-3-5-8-18/h3-5,7-8,13-14,17H,6,9-12,15,21H2,1-2H3
InChIKeyRHADPTRKRJLVIZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.75
Rot. Bonds11

About 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine

4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine (PubChem CID 174210532) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine
PubChem CID174210532
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine
SMILESCc1cc(OC(C)CCOCCCOCc2ccccc2)ncc1N
InChIInChI=1S/C20H28N2O3/c1-16-13-20(22-14-19(16)21)25-17(2)9-12-23-10-6-11-24-15-18-7-4-3-5-8-18/h3-5,7-8,13-14,17H,6,9-12,15,21H2,1-2H3
InChIKeyRHADPTRKRJLVIZ-UHFFFAOYSA-N
XLogP3.75
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide
CID 174204040
1-[5-[(2R)-4-(3-phenylmethoxypropoxy)butan-2-yl]oxypyrazolo[3,4-c]pyridin-2-yl]ethanone
CID 165127489
3-iodo-1-(oxan-2-yl)-5-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyrazolo[3,4-c]pyridine
CID 174203496
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
CID 102545461
6-but-3-yn-2-yloxy-4-methylpyridin-3-amine
CID 130497727
4-methyl-6-(2-propan-2-yloxyethoxy)pyridin-3-amine
CID 79176546
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102545457
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
4-bromo-2-[3-(3-phenylmethoxybutoxy)propyl]triazole
CID 174203505

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine?
The IUPAC name of 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine (CID 174210532) is 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine.
What is the SMILES notation for 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine?
The canonical SMILES for 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine is Cc1cc(OC(C)CCOCCCOCc2ccccc2)ncc1N.
What is the InChIKey of 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine?
The InChIKey is RHADPTRKRJLVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16-13-20(22-14-19(16)21)25-17(2)9-12-23-10-6-11-24-15-18-7-4-3-5-8-18/h3-5,7-8,13-14,17H,6,9-12,15,21H2,1-2H3.
What are the key properties of 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine?
4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine has a molecular weight of 344.45 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine is sourced from PubChem (CID 174210532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).