N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine

C18H22N2O — CID 63454223

IUPACN-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H22N2O/c1-13(2)21-18-16(9-6-12-19-18)20-17(15-10-11-15)14-7-4-3-5-8-14/h3-9,12-13,15,17,20H,10-11H2,1-2H3
InChIKeyCERSAKRHZUKYJC-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.43
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 63454223) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID63454223
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H22N2O/c1-13(2)21-18-16(9-6-12-19-18)20-17(15-10-11-15)14-7-4-3-5-8-14/h3-9,12-13,15,17,20H,10-11H2,1-2H3
InChIKeyCERSAKRHZUKYJC-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-2-methylpyridin-3-amine
CID 79042914
N-(1-cyclobutylpropan-2-yl)-2-propan-2-yloxypyridin-3-amine
CID 113489848
2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
CID 43689725
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
N-(1-cyclopropylethyl)-2-methoxypyridin-3-amine
CID 43721910
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
N-[1-(4-methoxyphenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374245
4-[(2-propan-2-yloxy-3-pyridinyl)amino]cyclohexan-1-ol
CID 106594487
N-(2-methylcyclohexyl)-2-propan-2-yloxypyridin-3-amine
CID 63455454
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-3-amine
CID 63454403
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 63454223) is N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is CERSAKRHZUKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)21-18-16(9-6-12-19-18)20-17(15-10-11-15)14-7-4-3-5-8-14/h3-9,12-13,15,17,20H,10-11H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 63454223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).