N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine

C16H20N2O — CID 118954417

IUPACN-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
SMILESCOc1ccc(CNc2ccc(C(C)C)cn2)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)14-6-9-16(18-11-14)17-10-13-4-7-15(19-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,17,18)
InChIKeyKPARWJUUOBSRBW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine

N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine (PubChem CID 118954417) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
PubChem CID118954417
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
SMILESCOc1ccc(CNc2ccc(C(C)C)cn2)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)14-6-9-16(18-11-14)17-10-13-4-7-15(19-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,17,18)
InChIKeyKPARWJUUOBSRBW-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine (CID 118954417) is N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine is COc1ccc(CNc2ccc(C(C)C)cn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine?
The InChIKey is KPARWJUUOBSRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)14-6-9-16(18-11-14)17-10-13-4-7-15(19-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 118954417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).