N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine

C18H24N2O — CID 105066129

IUPACN-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccncc2OC)c1
InChIInChI=1S/C18H24N2O/c1-4-7-14-8-6-9-15(12-14)18(20-5-2)16-10-11-19-13-17(16)21-3/h6,8-13,18,20H,4-5,7H2,1-3H3
InChIKeyCNVFOXMFFSKRBU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.74
Rot. Bonds7

About N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine

N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 105066129) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID105066129
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccncc2OC)c1
InChIInChI=1S/C18H24N2O/c1-4-7-14-8-6-9-15(12-14)18(20-5-2)16-10-11-19-13-17(16)21-3/h6,8-13,18,20H,4-5,7H2,1-3H3
InChIKeyCNVFOXMFFSKRBU-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116545019
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
[(4-methyl-3-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 105279913
N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065558
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050326
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine (CID 105066129) is N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2ccncc2OC)c1.
What is the InChIKey of N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is CNVFOXMFFSKRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-7-14-8-6-9-15(12-14)18(20-5-2)16-10-11-19-13-17(16)21-3/h6,8-13,18,20H,4-5,7H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 105066129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).