N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine

C18H24N2O — CID 105144285

IUPACN-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2cncc(C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-4-10-21-17-8-6-15(7-9-17)18(20-5-2)16-11-14(3)12-19-13-16/h6-9,11-13,18,20H,4-5,10H2,1-3H3
InChIKeyGLQNEGRBFTZFBZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.88
Rot. Bonds7

About N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine

N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine (PubChem CID 105144285) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
PubChem CID105144285
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2cncc(C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-4-10-21-17-8-6-15(7-9-17)18(20-5-2)16-11-14(3)12-19-13-16/h6-9,11-13,18,20H,4-5,10H2,1-3H3
InChIKeyGLQNEGRBFTZFBZ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine (CID 105144285) is N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(C(NCC)c2cncc(C)c2)cc1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is GLQNEGRBFTZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-10-21-17-8-6-15(7-9-17)18(20-5-2)16-11-14(3)12-19-13-16/h6-9,11-13,18,20H,4-5,10H2,1-3H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105144285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).