1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine

C17H28N2O2 — CID 61493746

IUPAC1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCCN2CCCC2)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-14(18-2)15-7-8-16(17(13-15)20-3)21-12-6-11-19-9-4-5-10-19/h7-8,13-14,18H,4-6,9-12H2,1-3H3
InChIKeyMAEXZUAQDDLQOZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds8

About 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine

1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine (PubChem CID 61493746) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
PubChem CID61493746
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCCN2CCCC2)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-14(18-2)15-7-8-16(17(13-15)20-3)21-12-6-11-19-9-4-5-10-19/h7-8,13-14,18H,4-6,9-12H2,1-3H3
InChIKeyMAEXZUAQDDLQOZ-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
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

(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine (CID 61493746) is 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCCN2CCCC2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine?
The InChIKey is MAEXZUAQDDLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(18-2)15-7-8-16(17(13-15)20-3)21-12-6-11-19-9-4-5-10-19/h7-8,13-14,18H,4-6,9-12H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine?
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 61493746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).