2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

C18H24N2O — CID 60684901

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1cc(OCCNCc2ccccn2)ccc1C(C)C
InChIInChI=1S/C18H24N2O/c1-14(2)18-8-7-17(12-15(18)3)21-11-10-19-13-16-6-4-5-9-20-16/h4-9,12,14,19H,10-11,13H2,1-3H3
InChIKeyAQSRCLUOCSUAND-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.68
Rot. Bonds7

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 60684901) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID60684901
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1cc(OCCNCc2ccccn2)ccc1C(C)C
InChIInChI=1S/C18H24N2O/c1-14(2)18-8-7-17(12-15(18)3)21-11-10-19-13-16-6-4-5-9-20-16/h4-9,12,14,19H,10-11,13H2,1-3H3
InChIKeyAQSRCLUOCSUAND-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39396825
N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
CID 62584977
N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
CID 60661709
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 107286479
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
N-(pyridin-2-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275980
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
CID 63505257

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (CID 60684901) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is Cc1cc(OCCNCc2ccccn2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is AQSRCLUOCSUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)18-8-7-17(12-15(18)3)21-11-10-19-13-16-6-4-5-9-20-16/h4-9,12,14,19H,10-11,13H2,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 60684901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).