[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine

C14H22N2O2 — CID 60879649

IUPAC[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
SMILESCOc1ccc(OCCN2CCCC2)c(CN)c1
InChIInChI=1S/C14H22N2O2/c1-17-13-4-5-14(12(10-13)11-15)18-9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9,11,15H2,1H3
InChIKeyIRAYOIWAMMHBCN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.63
Rot. Bonds6

About [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine

[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine (PubChem CID 60879649) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
PubChem CID60879649
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
SMILESCOc1ccc(OCCN2CCCC2)c(CN)c1
InChIInChI=1S/C14H22N2O2/c1-17-13-4-5-14(12(10-13)11-15)18-9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9,11,15H2,1H3
InChIKeyIRAYOIWAMMHBCN-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 82889010
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
1-[2-[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]ethyl]piperidine
CID 104706668

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine (CID 60879649) is [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine is COc1ccc(OCCN2CCCC2)c(CN)c1.
What is the InChIKey of [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
The InChIKey is IRAYOIWAMMHBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-13-4-5-14(12(10-13)11-15)18-9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9,11,15H2,1H3.
What are the key properties of [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 60879649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).