N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine

C17H22N2O2 — CID 43275392

IUPACN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)ccc1OCc1ccncc1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-15-4-5-16(17(10-15)20-3)21-12-14-6-8-18-9-7-14/h4-10,13,19H,11-12H2,1-3H3
InChIKeyHTNKVDMTDAMZFC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds7

About N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 43275392) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID43275392
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)ccc1OCc1ccncc1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-15-4-5-16(17(10-15)20-3)21-12-14-6-8-18-9-7-14/h4-10,13,19H,11-12H2,1-3H3
InChIKeyHTNKVDMTDAMZFC-UHFFFAOYSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883561
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
(2S)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726611
2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111210
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 166187432
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291372

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine (CID 43275392) is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine is COc1cc(CNC(C)C)ccc1OCc1ccncc1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is HTNKVDMTDAMZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)19-11-15-4-5-16(17(10-15)20-3)21-12-14-6-8-18-9-7-14/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43275392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).