[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine

C16H19ClN2O — CID 114928474

IUPAC[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
SMILESCC(C)(C)c1cccc(Oc2cc(CN)c(Cl)cn2)c1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-5-4-6-13(8-12)20-15-7-11(9-18)14(17)10-19-15/h4-8,10H,9,18H2,1-3H3
InChIKeyPMCHMASTMQNPII-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.28
Rot. Bonds3

About [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine

[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine (PubChem CID 114928474) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
PubChem CID114928474
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
SMILESCC(C)(C)c1cccc(Oc2cc(CN)c(Cl)cn2)c1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-5-4-6-13(8-12)20-15-7-11(9-18)14(17)10-19-15/h4-8,10H,9,18H2,1-3H3
InChIKeyPMCHMASTMQNPII-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-chloro-4-pyridinyl]methanamine
CID 107056042
[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine
CID 107875401
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine (CID 114928474) is [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine is CC(C)(C)c1cccc(Oc2cc(CN)c(Cl)cn2)c1.
What is the InChIKey of [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine?
The InChIKey is PMCHMASTMQNPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2,3)12-5-4-6-13(8-12)20-15-7-11(9-18)14(17)10-19-15/h4-8,10H,9,18H2,1-3H3.
What are the key properties of [2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine?
[2-(3-tert-butylphenoxy)-5-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)-5-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 114928474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).