2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

C18H24N2O — CID 115981790

IUPAC2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCc1cccnc1COc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14(2)11-19-12-16-6-8-17(9-7-16)21-13-18-15(3)5-4-10-20-18/h4-10,14,19H,11-13H2,1-3H3
InChIKeyFBDHXDHJUKLCPQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.71
Rot. Bonds7

About 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 115981790) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID115981790
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCc1cccnc1COc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14(2)11-19-12-16-6-8-17(9-7-16)21-13-18-15(3)5-4-10-20-18/h4-10,14,19H,11-13H2,1-3H3
InChIKeyFBDHXDHJUKLCPQ-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

1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-ol
CID 112650663
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 112650342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 60657484
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026425
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (CID 115981790) is 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is Cc1cccnc1COc1ccc(CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is FBDHXDHJUKLCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)11-19-12-16-6-8-17(9-7-16)21-13-18-15(3)5-4-10-20-18/h4-10,14,19H,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[(3-methyl-2-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-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115981790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).