2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine

C14H22N2 — CID 67739617

IUPAC2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
SMILESCNCCN1CC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-15-8-10-16-9-7-14(12-16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14-/m1/s1
InChIKeyVWJBIFGWCPEUEE-CQSZACIVSA-N
MW218.34 g/mol
LogP1.77
Rot. Bonds5

About 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine

2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine (PubChem CID 67739617) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
PubChem CID67739617
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
SMILESCNCCN1CC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-15-8-10-16-9-7-14(12-16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14-/m1/s1
InChIKeyVWJBIFGWCPEUEE-CQSZACIVSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-octylpyrrolidine
CID 58576677
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570
3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 90103620
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169005094
5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
CID 70196534

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine (CID 67739617) is 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine is CNCCN1CC[C@H](Cc2ccccc2)C1.
What is the InChIKey of 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine?
The InChIKey is VWJBIFGWCPEUEE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-8-10-16-9-7-14(12-16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine?
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine has a molecular weight of 218.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 67739617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).