N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine

C14H22N2 — CID 43283918

IUPACN-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
SMILESCCNC(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H22N2/c1-3-15-12(2)13-6-8-14(9-7-13)16-10-4-5-11-16/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyAAQVLGXNSKPPLT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds4

About N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine

N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine (PubChem CID 43283918) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
PubChem CID43283918
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
SMILESCCNC(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H22N2/c1-3-15-12(2)13-6-8-14(9-7-13)16-10-4-5-11-16/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyAAQVLGXNSKPPLT-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
1-[4-[1-(ethylamino)ethyl]phenyl]piperidine-2,6-dione
CID 43653773
N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
CID 43585360
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61407251
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one
CID 65295315
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine (CID 43283918) is N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine is CCNC(C)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The InChIKey is AAQVLGXNSKPPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-15-12(2)13-6-8-14(9-7-13)16-10-4-5-11-16/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 43283918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).