3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine

C16H20N2O — CID 55076540

IUPAC3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(C(C)C)cc1OCc1cccnc1N
InChIInChI=1S/C16H20N2O/c1-11(2)13-7-6-12(3)15(9-13)19-10-14-5-4-8-18-16(14)17/h4-9,11H,10H2,1-3H3,(H2,17,18)
InChIKeyJBMJAECDBQUQLI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.67
Rot. Bonds4

About 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine

3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine (PubChem CID 55076540) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
PubChem CID55076540
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(C(C)C)cc1OCc1cccnc1N
InChIInChI=1S/C16H20N2O/c1-11(2)13-7-6-12(3)15(9-13)19-10-14-5-4-8-18-16(14)17/h4-9,11H,10H2,1-3H3,(H2,17,18)
InChIKeyJBMJAECDBQUQLI-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733492
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
CID 82132130
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
CID 78913027
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan
CID 59709312
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine (CID 55076540) is 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine is Cc1ccc(C(C)C)cc1OCc1cccnc1N.
What is the InChIKey of 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The InChIKey is JBMJAECDBQUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)13-7-6-12(3)15(9-13)19-10-14-5-4-8-18-16(14)17/h4-9,11H,10H2,1-3H3,(H2,17,18).
What are the key properties of 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine?
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55076540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).