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

C12H17FN2 — CID 86329812

IUPACN-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
SMILESFc1ccc(CNC[C@H]2CCCN2)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14-15H,1-2,7-9H2/t12-/m1/s1
InChIKeyKFWLYOJLJJSZDN-GFCCVEGCSA-N
MW208.28 g/mol
LogP1.67
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine (PubChem CID 86329812) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
PubChem CID86329812
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
SMILESFc1ccc(CNC[C@H]2CCCN2)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14-15H,1-2,7-9H2/t12-/m1/s1
InChIKeyKFWLYOJLJJSZDN-GFCCVEGCSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
CID 139506324
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 115209327
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine (CID 86329812) is N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine is Fc1ccc(CNC[C@H]2CCCN2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
The InChIKey is KFWLYOJLJJSZDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14-15H,1-2,7-9H2/t12-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 86329812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).