1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine

C16H26N2O — CID 103576527

IUPAC1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
SMILESCc1cc(C)cc(OCCCN2CC(C)C(N)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-7-13(2)9-15(8-12)19-6-4-5-18-10-14(3)16(17)11-18/h7-9,14,16H,4-6,10-11,17H2,1-3H3
InChIKeyIKQIJRPFEXQMTM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.35
Rot. Bonds5

About 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine

1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576527) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
PubChem CID103576527
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
SMILESCc1cc(C)cc(OCCCN2CC(C)C(N)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-7-13(2)9-15(8-12)19-6-4-5-18-10-14(3)16(17)11-18/h7-9,14,16H,4-6,10-11,17H2,1-3H3
InChIKeyIKQIJRPFEXQMTM-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
[1-[3-(3,5-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanamine
CID 62063241
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
(3S)-1-[3-(3,5-dimethylphenoxy)propyl]piperidine-3-carboxylic acid
CID 93048534
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
4-methyl-1-[3-(3-methylphenoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63721052
[4-methyl-1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methanamine
CID 114961293
(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
CID 2181705
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine (CID 103576527) is 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine is Cc1cc(C)cc(OCCCN2CC(C)C(N)C2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine?
The InChIKey is IKQIJRPFEXQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-13(2)9-15(8-12)19-6-4-5-18-10-14(3)16(17)11-18/h7-9,14,16H,4-6,10-11,17H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine?
1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).