N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine

C16H26N2O — CID 83980706

IUPACN-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCCNCCC1CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C16H26N2O/c1-3-17-10-8-15-9-11-18(13-15)12-14-4-6-16(19-2)7-5-14/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyZNFJKRCXGNUVJD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds7

About N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine

N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 83980706) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID83980706
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCCNCCC1CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C16H26N2O/c1-3-17-10-8-15-9-11-18(13-15)12-14-4-6-16(19-2)7-5-14/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyZNFJKRCXGNUVJD-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
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-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
CID 83980952
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348275
N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 83980706) is N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine is CCNCCC1CCN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is ZNFJKRCXGNUVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-10-8-15-9-11-18(13-15)12-14-4-6-16(19-2)7-5-14/h4-7,15,17H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 83980706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).