N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine

C12H17FN2 — CID 115208851

IUPACN-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESFc1ccccc1CNCC1CCNC1
InChIInChI=1S/C12H17FN2/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10/h1-4,10,14-15H,5-9H2
InChIKeyYVBWZJDDUTYNRG-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.52
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208851) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID115208851
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESFc1ccccc1CNCC1CCNC1
InChIInChI=1S/C12H17FN2/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10/h1-4,10,14-15H,5-9H2
InChIKeyYVBWZJDDUTYNRG-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 125114551
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 60733465

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 115208851) is N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine is Fc1ccccc1CNCC1CCNC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is YVBWZJDDUTYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10/h1-4,10,14-15H,5-9H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 208.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).