1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine

C14H21FN2 — CID 104869878

IUPAC1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(F)c(CN2CCC(C(C)N)C2)c1
InChIInChI=1S/C14H21FN2/c1-10-3-4-14(15)13(7-10)9-17-6-5-12(8-17)11(2)16/h3-4,7,11-12H,5-6,8-9,16H2,1-2H3
InChIKeyMYNLWWMGHNEGSJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.30
Rot. Bonds3

About 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine

1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 104869878) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID104869878
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(F)c(CN2CCC(C(C)N)C2)c1
InChIInChI=1S/C14H21FN2/c1-10-3-4-14(15)13(7-10)9-17-6-5-12(8-17)11(2)16/h3-4,7,11-12H,5-6,8-9,16H2,1-2H3
InChIKeyMYNLWWMGHNEGSJ-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol
CID 124865065
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843400
1-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843377
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
1-[1-[(2,6-difluoro-3-iodophenyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843374
4-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113254203

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 104869878) is 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine is Cc1ccc(F)c(CN2CCC(C(C)N)C2)c1.
What is the InChIKey of 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is MYNLWWMGHNEGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-3-4-14(15)13(7-10)9-17-6-5-12(8-17)11(2)16/h3-4,7,11-12H,5-6,8-9,16H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 104869878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).