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

C18H24N2O — CID 63841246

IUPACN-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)c1cc(C)ccn1
InChIInChI=1S/C18H24N2O/c1-5-19-18(17-12-14(4)10-11-20-17)15-6-8-16(9-7-15)21-13(2)3/h6-13,18-19H,5H2,1-4H3
InChIKeyUZRDSULOYOEYCG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.88
Rot. Bonds6

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

N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 63841246) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID63841246
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)c1cc(C)ccn1
InChIInChI=1S/C18H24N2O/c1-5-19-18(17-12-14(4)10-11-20-17)15-6-8-16(9-7-15)21-13(2)3/h6-13,18-19H,5H2,1-4H3
InChIKeyUZRDSULOYOEYCG-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-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63841105
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(4-ethylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840683
N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492161
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]hydrazine
CID 105219978
N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 63841246) is N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC(C)C)cc1)c1cc(C)ccn1.
What is the InChIKey of N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is UZRDSULOYOEYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-19-18(17-12-14(4)10-11-20-17)15-6-8-16(9-7-15)21-13(2)3/h6-13,18-19H,5H2,1-4H3.
What are the key properties of N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(4-methyl-2-pyridinyl)-(4-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-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63841246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).