1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine

C17H28N2O2 — CID 61494131

IUPAC1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)ccc1OCCCN1CCCC1
InChIInChI=1S/C17H28N2O2/c1-14(18)12-15-6-7-16(17(13-15)20-2)21-11-5-10-19-8-3-4-9-19/h6-7,13-14H,3-5,8-12,18H2,1-2H3
InChIKeyLNKCOIMHCZDPND-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.45
Rot. Bonds8

About 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine

1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine (PubChem CID 61494131) 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]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
PubChem CID61494131
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)ccc1OCCCN1CCCC1
InChIInChI=1S/C17H28N2O2/c1-14(18)12-15-6-7-16(17(13-15)20-2)21-11-5-10-19-8-3-4-9-19/h6-7,13-14H,3-5,8-12,18H2,1-2H3
InChIKeyLNKCOIMHCZDPND-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 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 ≤ 52.45
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-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine
CID 170891733
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine (CID 61494131) is 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine is COc1cc(CC(C)N)ccc1OCCCN1CCCC1.
What is the InChIKey of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The InChIKey is LNKCOIMHCZDPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(18)12-15-6-7-16(17(13-15)20-2)21-11-5-10-19-8-3-4-9-19/h6-7,13-14H,3-5,8-12,18H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 2.45, 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]propan-2-amine is sourced from PubChem (CID 61494131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).