[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine

C12H15F3N2 — CID 55146596

IUPAC[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C12H15F3N2/c13-10-3-9(4-11(14)12(10)15)7-17-2-1-8(5-16)6-17/h3-4,8H,1-2,5-7,16H2
InChIKeyGXNFFNSZWQZXMM-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.88
Rot. Bonds3

About [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 55146596) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID55146596
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C12H15F3N2/c13-10-3-9(4-11(14)12(10)15)7-17-2-1-8(5-16)6-17/h3-4,8H,1-2,5-7,16H2
InChIKeyGXNFFNSZWQZXMM-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917749
[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120837699
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine (CID 55146596) is [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is GXNFFNSZWQZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-10-3-9(4-11(14)12(10)15)7-17-2-1-8(5-16)6-17/h3-4,8H,1-2,5-7,16H2.
What are the key properties of [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 244.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 55146596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).