N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine

C18H24N2O — CID 62297273

IUPACN-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C18H24N2O/c1-13(2)15-5-7-17(8-6-15)21-18-9-10-19-16(11-18)12-20-14(3)4/h5-11,13-14,20H,12H2,1-4H3
InChIKeyNSFYXQFATYTTPG-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.50
Rot. Bonds6

About N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62297273) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62297273
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C18H24N2O/c1-13(2)15-5-7-17(8-6-15)21-18-9-10-19-16(11-18)12-20-14(3)4/h5-11,13-14,20H,12H2,1-4H3
InChIKeyNSFYXQFATYTTPG-UHFFFAOYSA-N
XLogP4.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62287531
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62290181
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82718553
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290861
N-[[5-(4-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623753

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62297273) is N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Oc2ccc(C(C)C)cc2)ccn1.
What is the InChIKey of N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is NSFYXQFATYTTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)15-5-7-17(8-6-15)21-18-9-10-19-16(11-18)12-20-14(3)4/h5-11,13-14,20H,12H2,1-4H3.
What are the key properties of N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62297273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).