5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine

C17H21ClN2O — CID 107874949

IUPAC5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C17H21ClN2O/c1-17(2,3)12-8-9-16(19-10-12)20-11-13-14(18)6-5-7-15(13)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyRZRUVVKIEFUEFG-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.65
Rot. Bonds4

About 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine

5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 107874949) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID107874949
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C17H21ClN2O/c1-17(2,3)12-8-9-16(19-10-12)20-11-13-14(18)6-5-7-15(13)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyRZRUVVKIEFUEFG-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(2-chloro-6-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103292810
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136782374
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 103293689
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine (CID 107874949) is 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine is COc1cccc(Cl)c1CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is RZRUVVKIEFUEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2,3)12-8-9-16(19-10-12)20-11-13-14(18)6-5-7-15(13)21-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 304.82 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 107874949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).