N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine

C18H24N2O — CID 62296745

IUPACN-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cccc(C(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-13(2)16-6-5-7-17(11-16)21-18-10-15(8-9-19-18)12-20-14(3)4/h5-11,13-14,20H,12H2,1-4H3
InChIKeyZGVKQLZRPFACHZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.50
Rot. Bonds6

About N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62296745) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62296745
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cccc(C(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-13(2)16-6-5-7-17(11-16)21-18-10-15(8-9-19-18)12-20-14(3)4/h5-11,13-14,20H,12H2,1-4H3
InChIKeyZGVKQLZRPFACHZ-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

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Related Compounds

N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-[[2-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 62288406
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 55058692
N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
CID 55058687

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 62296745) is N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(Oc2cccc(C(C)C)c2)c1.
What is the InChIKey of N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZGVKQLZRPFACHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)16-6-5-7-17(11-16)21-18-10-15(8-9-19-18)12-20-14(3)4/h5-11,13-14,20H,12H2,1-4H3.
What are the key properties of N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-propan-2-ylphenoxy)-4-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-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62296745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).