N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine

C17H28N2O — CID 63299801

IUPACN-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(CCCOc1ccc(C)c(C)c1)C1CCNC1
InChIInChI=1S/C17H28N2O/c1-4-19(16-8-9-18-13-16)10-5-11-20-17-7-6-14(2)15(3)12-17/h6-7,12,16,18H,4-5,8-11,13H2,1-3H3
InChIKeyMDOLQSJCACXULP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine

N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63299801) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine
PubChem CID63299801
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(CCCOc1ccc(C)c(C)c1)C1CCNC1
InChIInChI=1S/C17H28N2O/c1-4-19(16-8-9-18-13-16)10-5-11-20-17-7-6-14(2)15(3)12-17/h6-7,12,16,18H,4-5,8-11,13H2,1-3H3
InChIKeyMDOLQSJCACXULP-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
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

N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307
3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106636309
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine (CID 63299801) is N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine is CCN(CCCOc1ccc(C)c(C)c1)C1CCNC1.
What is the InChIKey of N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is MDOLQSJCACXULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(16-8-9-18-13-16)10-5-11-20-17-7-6-14(2)15(3)12-17/h6-7,12,16,18H,4-5,8-11,13H2,1-3H3.
What are the key properties of N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine?
N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).