[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine

C16H19ClN2O — CID 107056042

IUPAC[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
SMILESCC(C)(C)c1cccc(Oc2nccc(CN)c2Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-5-4-6-13(9-12)20-15-14(17)11(10-18)7-8-19-15/h4-9H,10,18H2,1-3H3
InChIKeyIXZOCEJTZHUYCX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.28
Rot. Bonds3

About [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine

[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine (PubChem CID 107056042) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
PubChem CID107056042
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
SMILESCC(C)(C)c1cccc(Oc2nccc(CN)c2Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-5-4-6-13(9-12)20-15-14(17)11(10-18)7-8-19-15/h4-9H,10,18H2,1-3H3
InChIKeyIXZOCEJTZHUYCX-UHFFFAOYSA-N
XLogP4.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 114928474
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
CID 133447258

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine (CID 107056042) is [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine is CC(C)(C)c1cccc(Oc2nccc(CN)c2Cl)c1.
What is the InChIKey of [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine?
The InChIKey is IXZOCEJTZHUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2,3)12-5-4-6-13(9-12)20-15-14(17)11(10-18)7-8-19-15/h4-9H,10,18H2,1-3H3.
What are the key properties of [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine?
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine has a molecular weight of 290.79 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 107056042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).