N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

C18H24N2O2 — CID 119129654

IUPACN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OCc2ccccn2)c(CNCC(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-14(2)11-19-12-15-10-17(21-3)7-8-18(15)22-13-16-6-4-5-9-20-16/h4-10,14,19H,11-13H2,1-3H3
InChIKeyFNJNNSZSHGKOCD-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.41
Rot. Bonds8

About N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 119129654) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID119129654
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OCc2ccccn2)c(CNCC(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-14(2)11-19-12-15-10-17(21-3)7-8-18(15)22-13-16-6-4-5-9-20-16/h4-10,14,19H,11-13H2,1-3H3
InChIKeyFNJNNSZSHGKOCD-UHFFFAOYSA-N
XLogP3.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 119112492
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119108501
4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
CID 119122680
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63500325
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436916
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 119129654) is N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is COc1ccc(OCc2ccccn2)c(CNCC(C)C)c1.
What is the InChIKey of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FNJNNSZSHGKOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)11-19-12-15-10-17(21-3)7-8-18(15)22-13-16-6-4-5-9-20-16/h4-10,14,19H,11-13H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 119129654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).