2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine

C19H32N2 — CID 105348247

IUPAC2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(CN2CCC(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H32N2/c1-5-20-12-10-16-6-8-17(9-7-16)14-21-13-11-18(15-21)19(2,3)4/h6-9,18,20H,5,10-15H2,1-4H3
InChIKeyMTINRFIUYBJQPJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine

2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine (PubChem CID 105348247) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine
PubChem CID105348247
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(CN2CCC(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H32N2/c1-5-20-12-10-16-6-8-17(9-7-16)14-21-13-11-18(15-21)19(2,3)4/h6-9,18,20H,5,10-15H2,1-4H3
InChIKeyMTINRFIUYBJQPJ-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
CID 105346947
N-[[3-bromo-4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102771876
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348275
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346515
2-[4-[(2,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347896
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347818
N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347945
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
2-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethylamino]propane-2-thiol
CID 167078351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine?
The IUPAC name of 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine (CID 105348247) is 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine?
The canonical SMILES for 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine is CCNCCc1ccc(CN2CCC(C(C)(C)C)C2)cc1.
What is the InChIKey of 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine?
The InChIKey is MTINRFIUYBJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-12-10-16-6-8-17(9-7-16)14-21-13-11-18(15-21)19(2,3)4/h6-9,18,20H,5,10-15H2,1-4H3.
What are the key properties of 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine?
2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine has a molecular weight of 288.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 105348247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).