1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine

C16H26N2O2 — CID 61493815

IUPAC1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCCCN1CCCC1
InChIInChI=1S/C16H26N2O2/c1-17-13-14-12-15(19-2)6-7-16(14)20-11-5-10-18-8-3-4-9-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3
InChIKeyLSXZWNUUTBMQMI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds8

About 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine

1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine (PubChem CID 61493815) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
PubChem CID61493815
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCCCN1CCCC1
InChIInChI=1S/C16H26N2O2/c1-17-13-14-12-15(19-2)6-7-16(14)20-11-5-10-18-8-3-4-9-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3
InChIKeyLSXZWNUUTBMQMI-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
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

1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
N-methyl-1-[5-nitro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493931
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine (CID 61493815) is 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCCCN1CCCC1.
What is the InChIKey of 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
The InChIKey is LSXZWNUUTBMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-13-14-12-15(19-2)6-7-16(14)20-11-5-10-18-8-3-4-9-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3.
What are the key properties of 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61493815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).