6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine

C18H24N2O — CID 79231253

IUPAC6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O/c1-5-19-17-8-6-7-15(20-17)13-21-16-11-9-14(10-12-16)18(2,3)4/h6-12H,5,13H2,1-4H3,(H,19,20)
InChIKeyQRLAGBUFKGYXSG-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.39
Rot. Bonds5

About 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine

6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 79231253) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID79231253
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O/c1-5-19-17-8-6-7-15(20-17)13-21-16-11-9-14(10-12-16)18(2,3)4/h6-12H,5,13H2,1-4H3,(H,19,20)
InChIKeyQRLAGBUFKGYXSG-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
CID 79232344
N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 79232071
N-ethyl-6-(naphthalen-2-yloxymethyl)pyridin-2-amine
CID 79231800
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
[3-[[6-(propylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79238949
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
CID 79243024
6-[(2-chlorophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 79239525
6-(cyclopentylmethoxymethyl)-N-ethylpyridin-2-amine
CID 79240064
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine (CID 79231253) is 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1cccc(COc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is QRLAGBUFKGYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-19-17-8-6-7-15(20-17)13-21-16-11-9-14(10-12-16)18(2,3)4/h6-12H,5,13H2,1-4H3,(H,19,20).
What are the key properties of 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine?
6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79231253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).