N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

C18H24N2O — CID 114878306

IUPACN-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1ccccc1OC(C)C
InChIInChI=1S/C18H24N2O/c1-5-20-18(16-12-19-11-10-14(16)4)15-8-6-7-9-17(15)21-13(2)3/h6-13,18,20H,5H2,1-4H3
InChIKeyFGEBEBGTECZZKW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.88
Rot. Bonds6

About N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 114878306) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID114878306
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1ccccc1OC(C)C
InChIInChI=1S/C18H24N2O/c1-5-20-18(16-12-19-11-10-14(16)4)15-8-6-7-9-17(15)21-13(2)3/h6-13,18,20H,5H2,1-4H3
InChIKeyFGEBEBGTECZZKW-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105170940
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692741
N-[(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103127655
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006477
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 114878306) is N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1cnccc1C)c1ccccc1OC(C)C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is FGEBEBGTECZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-20-18(16-12-19-11-10-14(16)4)15-8-6-7-9-17(15)21-13(2)3/h6-13,18,20H,5H2,1-4H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114878306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).