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

C17H28N2O2 — CID 61493816

IUPACN-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCCN1CCCC1
InChIInChI=1S/C17H28N2O2/c1-3-18-14-15-13-16(20-2)7-8-17(15)21-12-6-11-19-9-4-5-10-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3
InChIKeySQRPKPBMKHHQEW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds9

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

N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine (PubChem CID 61493816) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
PubChem CID61493816
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCCN1CCCC1
InChIInChI=1S/C17H28N2O2/c1-3-18-14-15-13-16(20-2)7-8-17(15)21-12-6-11-19-9-4-5-10-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3
InChIKeySQRPKPBMKHHQEW-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
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-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine (CID 61493816) is N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine is CCNCc1cc(OC)ccc1OCCCN1CCCC1.
What is the InChIKey of N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine?
The InChIKey is SQRPKPBMKHHQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-18-14-15-13-16(20-2)7-8-17(15)21-12-6-11-19-9-4-5-10-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3.
What are the key properties of N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine?
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 61493816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).