N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine

C14H22N2 — CID 94499350

IUPACN-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
SMILESCCNC[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-2-15-11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14-/m1/s1
InChIKeyWNUBSXWDQOHEEU-CQSZACIVSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds5

About N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine

N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 94499350) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID94499350
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
SMILESCCNC[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-2-15-11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14-/m1/s1
InChIKeyWNUBSXWDQOHEEU-CQSZACIVSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine (CID 94499350) is N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine is CCNC[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is WNUBSXWDQOHEEU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-15-11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine?
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 94499350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).