N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine

C15H24N2 — CID 117336989

IUPACN-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1ccc(C2CCNC2)cc1
InChIInChI=1S/C15H24N2/c1-3-17(4-2)12-13-5-7-14(8-6-13)15-9-10-16-11-15/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyLJWDPFYPIDZAOO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine

N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine (PubChem CID 117336989) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
PubChem CID117336989
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1ccc(C2CCNC2)cc1
InChIInChI=1S/C15H24N2/c1-3-17(4-2)12-13-5-7-14(8-6-13)15-9-10-16-11-15/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyLJWDPFYPIDZAOO-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
3-(4-ethylphenyl)azepane
CID 83819662
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
ethane;3-phenylpyrrolidine
CID 91032726
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
3-(4-ethylsulfanylphenyl)pyrrolidine
CID 82492447
2-methyl-4-(4-pyrrolidin-3-ylphenyl)butan-2-ol
CID 117116636
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine (CID 117336989) is N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine is CCN(CC)Cc1ccc(C2CCNC2)cc1.
What is the InChIKey of N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine?
The InChIKey is LJWDPFYPIDZAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(4-2)12-13-5-7-14(8-6-13)15-9-10-16-11-15/h5-8,15-16H,3-4,9-12H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine?
N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 117336989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).