5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline

C17H22N2O — CID 43425876

IUPAC5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1NCc1cccnc1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-7-8-16(20-4)15(10-14)19-12-13-6-5-9-18-11-13/h5-11,19H,12H2,1-4H3
InChIKeyMDABGTBFNBFWQT-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.00
Rot. Bonds4

About 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline

5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43425876) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
PubChem CID43425876
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1NCc1cccnc1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-7-8-16(20-4)15(10-14)19-12-13-6-5-9-18-11-13/h5-11,19H,12H2,1-4H3
InChIKeyMDABGTBFNBFWQT-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

5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
5-tert-butyl-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
CID 43229847
1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4519202
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
5-tert-butyl-2-methoxy-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060260
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
5-N-(2,5-dimethoxyphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952411
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687872

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline (CID 43425876) is 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline is COc1ccc(C(C)(C)C)cc1NCc1cccnc1.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is MDABGTBFNBFWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,3)14-7-8-16(20-4)15(10-14)19-12-13-6-5-9-18-11-13/h5-11,19H,12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)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 5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43425876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).