N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine

C15H24N2O — CID 82353074

IUPACN-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
SMILESc1ccc(CNCCOCCN2CCCC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-6-15(7-3-1)14-16-8-12-18-13-11-17-9-4-5-10-17/h1-3,6-7,16H,4-5,8-14H2
InChIKeyGTBKVBJHPWDFSE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.89
Rot. Bonds8

About N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine

N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine (PubChem CID 82353074) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
PubChem CID82353074
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
SMILESc1ccc(CNCCOCCN2CCCC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-6-15(7-3-1)14-16-8-12-18-13-11-17-9-4-5-10-17/h1-3,6-7,16H,4-5,8-14H2
InChIKeyGTBKVBJHPWDFSE-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.89
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-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63209215
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine?
The IUPAC name of N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine (CID 82353074) is N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine is c1ccc(CNCCOCCN2CCCC2)cc1.
What is the InChIKey of N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine?
The InChIKey is GTBKVBJHPWDFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-6-15(7-3-1)14-16-8-12-18-13-11-17-9-4-5-10-17/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine?
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine is sourced from PubChem (CID 82353074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).