3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine

C21H29NO2 — CID 134383107

IUPAC3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine
SMILESCC(C)OCCc1ccc(CC(C)OC(C)c2cccnc2)cc1
InChIInChI=1S/C21H29NO2/c1-16(2)23-13-11-19-7-9-20(10-8-19)14-17(3)24-18(4)21-6-5-12-22-15-21/h5-10,12,15-18H,11,13-14H2,1-4H3
InChIKeyRBVAHVILFPHTGH-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.76
Rot. Bonds9

About 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine

3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine (PubChem CID 134383107) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine.

Molecular Properties

Compound Name3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine
PubChem CID134383107
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine
SMILESCC(C)OCCc1ccc(CC(C)OC(C)c2cccnc2)cc1
InChIInChI=1S/C21H29NO2/c1-16(2)23-13-11-19-7-9-20(10-8-19)14-17(3)24-18(4)21-6-5-12-22-15-21/h5-10,12,15-18H,11,13-14H2,1-4H3
InChIKeyRBVAHVILFPHTGH-UHFFFAOYSA-N
XLogP4.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
N-methyl-2-(2-pyridin-3-ylethoxy)propan-1-amine
CID 63262792
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
CID 139662203
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine?
The IUPAC name of 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine (CID 134383107) is 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine.
What is the SMILES notation for 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine?
The canonical SMILES for 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine is CC(C)OCCc1ccc(CC(C)OC(C)c2cccnc2)cc1.
What is the InChIKey of 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine?
The InChIKey is RBVAHVILFPHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-16(2)23-13-11-19-7-9-20(10-8-19)14-17(3)24-18(4)21-6-5-12-22-15-21/h5-10,12,15-18H,11,13-14H2,1-4H3.
What are the key properties of 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine?
3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine has a molecular weight of 327.47 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine is sourced from PubChem (CID 134383107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).