4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline

C17H22N2O — CID 114936268

IUPAC4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-6-8-15(9-7-14)18-11-13-5-10-16(20-4)19-12-13/h5-10,12,18H,11H2,1-4H3
InChIKeyXXWVRBDUXLIWNO-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.00
Rot. Bonds4

About 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline

4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 114936268) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID114936268
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-6-8-15(9-7-14)18-11-13-5-10-16(20-4)19-12-13/h5-10,12,18H,11H2,1-4H3
InChIKeyXXWVRBDUXLIWNO-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
2-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropan-1-ol
CID 114936372
1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62990420

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 114936268) is 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline is COc1ccc(CNc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is XXWVRBDUXLIWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,3)14-6-8-15(9-7-14)18-11-13-5-10-16(20-4)19-12-13/h5-10,12,18H,11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114936268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).