2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine

C14H21FN2 — CID 115209099

IUPAC2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCN(CCc1ccccc1F)CC1CCNC1
InChIInChI=1S/C14H21FN2/c1-17(11-12-6-8-16-10-12)9-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyLKMITLIQSDTLND-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.91
Rot. Bonds5

About 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine

2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 115209099) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID115209099
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCN(CCc1ccccc1F)CC1CCNC1
InChIInChI=1S/C14H21FN2/c1-17(11-12-6-8-16-10-12)9-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyLKMITLIQSDTLND-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-methyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 54596082
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
CID 84674397
2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
CID 117117895
4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149918
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 115209099) is 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine is CN(CCc1ccccc1F)CC1CCNC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is LKMITLIQSDTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(11-12-6-8-16-10-12)9-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine?
2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115209099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).