N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine

C16H26N2 — CID 115210402

IUPACN-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
SMILESCCc1ccc(CCNCCC2CCCN2)cc1
InChIInChI=1S/C16H26N2/c1-2-14-5-7-15(8-6-14)9-12-17-13-10-16-4-3-11-18-16/h5-8,16-18H,2-4,9-13H2,1H3
InChIKeyBFDRPFZGJOXUND-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine

N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine (PubChem CID 115210402) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
PubChem CID115210402
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
SMILESCCc1ccc(CCNCCC2CCCN2)cc1
InChIInChI=1S/C16H26N2/c1-2-14-5-7-15(8-6-14)9-12-17-13-10-16-4-3-11-18-16/h5-8,16-18H,2-4,9-13H2,1H3
InChIKeyBFDRPFZGJOXUND-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine (CID 115210402) is N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine is CCc1ccc(CCNCCC2CCCN2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
The InChIKey is BFDRPFZGJOXUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-5-7-15(8-6-14)9-12-17-13-10-16-4-3-11-18-16/h5-8,16-18H,2-4,9-13H2,1H3.
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 115210402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).