N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine

C18H24N2O — CID 66447483

IUPACN-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncccc1C)c1ccccc1OC
InChIInChI=1S/C18H24N2O/c1-4-11-19-17(13-16-14(2)8-7-12-20-16)15-9-5-6-10-18(15)21-3/h5-10,12,17,19H,4,11,13H2,1-3H3
InChIKeyBFOBYTGBUNNXJR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 66447483) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID66447483
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncccc1C)c1ccccc1OC
InChIInChI=1S/C18H24N2O/c1-4-11-19-17(13-16-14(2)8-7-12-20-16)15-9-5-6-10-18(15)21-3/h5-10,12,17,19H,4,11,13H2,1-3H3
InChIKeyBFOBYTGBUNNXJR-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

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Related Compounds

N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448648
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-(furan-2-yl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446112
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448627
N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 66447481
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66445906
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288
1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 66447483) is N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ncccc1C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is BFOBYTGBUNNXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-11-19-17(13-16-14(2)8-7-12-20-16)15-9-5-6-10-18(15)21-3/h5-10,12,17,19H,4,11,13H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine 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 N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66447483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).