(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine

C15H24N2O — CID 81491707

IUPAC(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
SMILESCc1ccc(C)c(OCCCN2CC[C@H](N)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-4-5-13(2)15(10-12)18-9-3-7-17-8-6-14(16)11-17/h4-5,10,14H,3,6-9,11,16H2,1-2H3/t14-/m0/s1
InChIKeyQPAPEMFUDBQEAT-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds5

About (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine

(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine (PubChem CID 81491707) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
PubChem CID81491707
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
SMILESCc1ccc(C)c(OCCCN2CC[C@H](N)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-4-5-13(2)15(10-12)18-9-3-7-17-8-6-14(16)11-17/h4-5,10,14H,3,6-9,11,16H2,1-2H3/t14-/m0/s1
InChIKeyQPAPEMFUDBQEAT-AWEZNQCLSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
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

1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 131911189

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine (CID 81491707) is (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine is Cc1ccc(C)c(OCCCN2CC[C@H](N)C2)c1.
What is the InChIKey of (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine?
The InChIKey is QPAPEMFUDBQEAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-4-5-13(2)15(10-12)18-9-3-7-17-8-6-14(16)11-17/h4-5,10,14H,3,6-9,11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine?
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 81491707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).