N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine

C16H26N2 — CID 113430223

IUPACN-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC(C)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-9-10-18(13-15)12-14(2)16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13H2,1-2H3
InChIKeyAYPFPDLXEZKRFE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 113430223) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID113430223
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC(C)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-9-10-18(13-15)12-14(2)16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13H2,1-2H3
InChIKeyAYPFPDLXEZKRFE-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 120842603
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
3-ethyl-1-(2-phenylpropyl)piperidin-4-amine
CID 81456838
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
1-(2-phenylpropyl)azetidin-3-ol
CID 121200321
1-[(2R)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039301
1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039058
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 66409309
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine (CID 113430223) is N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(CC(C)c2ccccc2)C1.
What is the InChIKey of N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is AYPFPDLXEZKRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-15-9-10-18(13-15)12-14(2)16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13H2,1-2H3.
What are the key properties of N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 113430223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).