2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

C18H24N2O — CID 102880419

IUPAC2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCc1cncc(COc2ccccc2CNCC(C)C)c1
InChIInChI=1S/C18H24N2O/c1-14(2)9-19-12-17-6-4-5-7-18(17)21-13-16-8-15(3)10-20-11-16/h4-8,10-11,14,19H,9,12-13H2,1-3H3
InChIKeyHXUYGIMITWISNX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.71
Rot. Bonds7

About 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 102880419) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID102880419
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCc1cncc(COc2ccccc2CNCC(C)C)c1
InChIInChI=1S/C18H24N2O/c1-14(2)9-19-12-17-6-4-5-7-18(17)21-13-16-8-15(3)10-20-11-16/h4-8,10-11,14,19H,9,12-13H2,1-3H3
InChIKeyHXUYGIMITWISNX-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
2-methyl-N-[(6-methyl-4-phenylmethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81255067
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63055963
N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 102880334
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (CID 102880419) is 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is Cc1cncc(COc2ccccc2CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is HXUYGIMITWISNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)9-19-12-17-6-4-5-7-18(17)21-13-16-8-15(3)10-20-11-16/h4-8,10-11,14,19H,9,12-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102880419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).