1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine

C18H24N2O — CID 80626959

IUPAC1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cccc(C(C)C)c2)nc1
InChIInChI=1S/C18H24N2O/c1-4-16(19)10-14-8-9-18(20-12-14)21-17-7-5-6-15(11-17)13(2)3/h5-9,11-13,16H,4,10,19H2,1-3H3
InChIKeyBGAINXQIFXNVKL-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.28
Rot. Bonds6

About 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine

1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80626959) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80626959
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cccc(C(C)C)c2)nc1
InChIInChI=1S/C18H24N2O/c1-4-16(19)10-14-8-9-18(20-12-14)21-17-7-5-6-15(11-17)13(2)3/h5-9,11-13,16H,4,10,19H2,1-3H3
InChIKeyBGAINXQIFXNVKL-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 55058692
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
1-[6-(3,5-dichlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640652
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640336
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80627302
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
5-(chloromethyl)-2-(3-propan-2-ylphenoxy)pyrimidine
CID 113387977

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine (CID 80626959) is 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2cccc(C(C)C)c2)nc1.
What is the InChIKey of 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is BGAINXQIFXNVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-16(19)10-14-8-9-18(20-12-14)21-17-7-5-6-15(11-17)13(2)3/h5-9,11-13,16H,4,10,19H2,1-3H3.
What are the key properties of 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80626959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).