1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine

C14H21FN2 — CID 51627868

IUPAC1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-2-17-9-3-4-14(17)11-16-10-12-5-7-13(15)8-6-12/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyNTYZVAOTCYZUKE-CQSZACIVSA-N
MW236.33 g/mol
LogP2.40
Rot. Bonds5

About 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine (PubChem CID 51627868) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
PubChem CID51627868
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-2-17-9-3-4-14(17)11-16-10-12-5-7-13(15)8-6-12/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyNTYZVAOTCYZUKE-CQSZACIVSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628103
1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43081448
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408267
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43199275
2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43221033
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213859

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine (CID 51627868) is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine is CCN1CCC[C@@H]1CNCc1ccc(F)cc1.
What is the InChIKey of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine?
The InChIKey is NTYZVAOTCYZUKE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-17-9-3-4-14(17)11-16-10-12-5-7-13(15)8-6-12/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine?
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 51627868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).