N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine

C18H24N2O — CID 105140730

IUPACN-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1OC)c1cccc(C)c1C
InChIInChI=1S/C18H24N2O/c1-5-11-19-17(15-9-6-8-13(2)14(15)3)16-10-7-12-20-18(16)21-4/h6-10,12,17,19H,5,11H2,1-4H3
InChIKeyHNMXTMFSPICITI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine

N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105140730) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID105140730
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1OC)c1cccc(C)c1C
InChIInChI=1S/C18H24N2O/c1-5-11-19-17(15-9-6-8-13(2)14(15)3)16-10-7-12-20-18(16)21-4/h6-10,12,17,19H,5,11H2,1-4H3
InChIKeyHNMXTMFSPICITI-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
CID 105090915
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140593
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 105140730) is N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccnc1OC)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HNMXTMFSPICITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-11-19-17(15-9-6-8-13(2)14(15)3)16-10-7-12-20-18(16)21-4/h6-10,12,17,19H,5,11H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105140730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).