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

C17H22N2O2 — CID 62288971

IUPACN-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCOc1cccc(COc2ccnc(CNC(C)C)c2)c1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-15-10-17(7-8-18-15)21-12-14-5-4-6-16(9-14)20-3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyGKYUVTPGZGKKCZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds7

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

N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62288971) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID62288971
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCOc1cccc(COc2ccnc(CNC(C)C)c2)c1
InChIInChI=1S/C17H22N2O2/c1-13(2)19-11-15-10-17(7-8-18-15)21-12-14-5-4-6-16(9-14)20-3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyGKYUVTPGZGKKCZ-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

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Related Compounds

[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053
N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62290181
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193630
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (CID 62288971) is N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is COc1cccc(COc2ccnc(CNC(C)C)c2)c1.
What is the InChIKey of N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is GKYUVTPGZGKKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)19-11-15-10-17(7-8-18-15)21-12-14-5-4-6-16(9-14)20-3/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]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-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62288971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).