1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

C16H20N2O — CID 39358305

IUPAC1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCC(C)Oc1ccccc1CNCc1ccccn1
InChIInChI=1S/C16H20N2O/c1-13(2)19-16-9-4-3-7-14(16)11-17-12-15-8-5-6-10-18-15/h3-10,13,17H,11-12H2,1-2H3
InChIKeyVYWNAFUCILAHQX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 39358305) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID39358305
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCC(C)Oc1ccccc1CNCc1ccccn1
InChIInChI=1S/C16H20N2O/c1-13(2)19-16-9-4-3-7-14(16)11-17-12-15-8-5-6-10-18-15/h3-10,13,17H,11-12H2,1-2H3
InChIKeyVYWNAFUCILAHQX-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 82733879
N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 62848075
N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
CID 138738145
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103700595
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 39358305) is 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is CC(C)Oc1ccccc1CNCc1ccccn1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is VYWNAFUCILAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)19-16-9-4-3-7-14(16)11-17-12-15-8-5-6-10-18-15/h3-10,13,17H,11-12H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 39358305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).