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

C12H17FN2 — CID 14709038

IUPAC[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNC[C@H]1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)9-15-7-1-2-12(15)8-14/h3-6,12H,1-2,7-9,14H2/t12-/m1/s1
InChIKeyBOKXGTOMUFSZQX-GFCCVEGCSA-N
MW208.28 g/mol
LogP1.75
Rot. Bonds3

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

[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 14709038) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID14709038
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNC[C@H]1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)9-15-7-1-2-12(15)8-14/h3-6,12H,1-2,7-9,14H2/t12-/m1/s1
InChIKeyBOKXGTOMUFSZQX-GFCCVEGCSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (CID 14709038) is [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is NC[C@H]1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is BOKXGTOMUFSZQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)9-15-7-1-2-12(15)8-14/h3-6,12H,1-2,7-9,14H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 14709038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).