[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine

C12H17FN2 — CID 105462010

IUPAC[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
SMILESCN1CCC(c2ccc(F)cc2)C1CN
InChIInChI=1S/C12H17FN2/c1-15-7-6-11(12(15)8-14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3
InChIKeyMQINLLJEFAJZSW-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.57
Rot. Bonds2

About [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine

[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 105462010) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
PubChem CID105462010
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
SMILESCN1CCC(c2ccc(F)cc2)C1CN
InChIInChI=1S/C12H17FN2/c1-15-7-6-11(12(15)8-14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3
InChIKeyMQINLLJEFAJZSW-UHFFFAOYSA-N
XLogP1.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462009
[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 124675425
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362
[4-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 82611721
(2S,3S)-3-(4-fluorophenyl)-2-formylpyrrolidine-1-carboxylic acid
CID 118089137
1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
CID 83830352
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol
CID 143139742

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine (CID 105462010) is [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine is CN1CCC(c2ccc(F)cc2)C1CN.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
The InChIKey is MQINLLJEFAJZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-7-6-11(12(15)8-14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 105462010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).