2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine

C18H24N2O — CID 80626968

IUPAC2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CCN)cn2)cc1
InChIInChI=1S/C18H24N2O/c1-4-18(2,3)15-6-8-16(9-7-15)21-17-10-5-14(11-12-19)13-20-17/h5-10,13H,4,11-12,19H2,1-3H3
InChIKeyRLOIGBFJTAHXQL-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.06
Rot. Bonds6

About 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine

2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine (PubChem CID 80626968) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
PubChem CID80626968
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CCN)cn2)cc1
InChIInChI=1S/C18H24N2O/c1-4-18(2,3)15-6-8-16(9-7-15)21-17-10-5-14(11-12-19)13-20-17/h5-10,13H,4,11-12,19H2,1-3H3
InChIKeyRLOIGBFJTAHXQL-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346
5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 164991107
1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
CID 147995396
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
CID 163843542
CID 163843542
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422
2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
CID 80639888
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine (CID 80626968) is 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine is CCC(C)(C)c1ccc(Oc2ccc(CCN)cn2)cc1.
What is the InChIKey of 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine?
The InChIKey is RLOIGBFJTAHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-18(2,3)15-6-8-16(9-7-15)21-17-10-5-14(11-12-19)13-20-17/h5-10,13H,4,11-12,19H2,1-3H3.
What are the key properties of 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine?
2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine is sourced from PubChem (CID 80626968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).