[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine

C16H19ClN2O — CID 107875401

IUPAC[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine
SMILESCC(C)(C)c1ccc(Oc2ccc(CN)c(Cl)c2)nc1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-5-7-15(19-10-12)20-13-6-4-11(9-18)14(17)8-13/h4-8,10H,9,18H2,1-3H3
InChIKeyOCKUZMNAFCQIPA-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.28
Rot. Bonds3

About [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine

[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine (PubChem CID 107875401) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine
PubChem CID107875401
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine
SMILESCC(C)(C)c1ccc(Oc2ccc(CN)c(Cl)c2)nc1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-5-7-15(19-10-12)20-13-6-4-11(9-18)14(17)8-13/h4-8,10H,9,18H2,1-3H3
InChIKeyOCKUZMNAFCQIPA-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

5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 114928474
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine
CID 107875396
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
5-tert-butyl-2-(3-iodophenoxy)pyridine
CID 107874372
[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 114323896
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111

Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine?
The IUPAC name of [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine (CID 107875401) is [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine.
What is the SMILES notation for [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine?
The canonical SMILES for [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine is CC(C)(C)c1ccc(Oc2ccc(CN)c(Cl)c2)nc1.
What is the InChIKey of [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine?
The InChIKey is OCKUZMNAFCQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2,3)12-5-7-15(19-10-12)20-13-6-4-11(9-18)14(17)8-13/h4-8,10H,9,18H2,1-3H3.
What are the key properties of [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine?
[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]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 [4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine is sourced from PubChem (CID 107875401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).