[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone

C19H21FN2O — CID 124693508

IUPAC[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C19H21FN2O/c1-13-10-17(15-6-8-18(20)9-7-15)12-22(13)19(23)16-4-2-14(11-21)3-5-16/h2-9,13,17H,10-12,21H2,1H3/t13-,17-/m0/s1
InChIKeyRNUXKOBCHFLDNU-GUYCJALGSA-N
MW312.39 g/mol
LogP3.30
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone

[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 124693508) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
PubChem CID124693508
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C19H21FN2O/c1-13-10-17(15-6-8-18(20)9-7-15)12-22(13)19(23)16-4-2-14(11-21)3-5-16/h2-9,13,17H,10-12,21H2,1H3/t13-,17-/m0/s1
InChIKeyRNUXKOBCHFLDNU-GUYCJALGSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119331242
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119331241
2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 119136071
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
(2S)-2-amino-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 119796817
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328231
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325
(2S)-2-amino-1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688053
ethyl 1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylate
CID 95932127

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone (CID 124693508) is [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone is C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is RNUXKOBCHFLDNU-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-10-17(15-6-8-18(20)9-7-15)12-22(13)19(23)16-4-2-14(11-21)3-5-16/h2-9,13,17H,10-12,21H2,1H3/t13-,17-/m0/s1.
What are the key properties of [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone?
[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 312.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124693508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).