[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine

C17H22N2O2 — CID 65338927

IUPAC[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
SMILESCOc1ccc(COCCCc2ccncc2)cc1CN
InChIInChI=1S/C17H22N2O2/c1-20-17-5-4-15(11-16(17)12-18)13-21-10-2-3-14-6-8-19-9-7-14/h4-9,11H,2-3,10,12-13,18H2,1H3
InChIKeyXBVRWOZSTXWKDA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds8

About [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine

[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine (PubChem CID 65338927) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
PubChem CID65338927
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
SMILESCOc1ccc(COCCCc2ccncc2)cc1CN
InChIInChI=1S/C17H22N2O2/c1-20-17-5-4-15(11-16(17)12-18)13-21-10-2-3-14-6-8-19-9-7-14/h4-9,11H,2-3,10,12-13,18H2,1H3
InChIKeyXBVRWOZSTXWKDA-UHFFFAOYSA-N
XLogP2.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 82827758
[5-(furan-2-ylmethoxymethyl)-2-methoxyphenyl]methanamine
CID 65338776
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine (CID 65338927) is [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine is COc1ccc(COCCCc2ccncc2)cc1CN.
What is the InChIKey of [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
The InChIKey is XBVRWOZSTXWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-17-5-4-15(11-16(17)12-18)13-21-10-2-3-14-6-8-19-9-7-14/h4-9,11H,2-3,10,12-13,18H2,1H3.
What are the key properties of [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine is sourced from PubChem (CID 65338927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).