N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine

C12H15F3N2 — CID 62816102

IUPACN-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2cc(F)c(F)cc2F)C1
InChIInChI=1S/C12H15F3N2/c1-16-6-8-2-3-17(7-8)12-5-10(14)9(13)4-11(12)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyKBCYUMVLKRYOQB-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.15
Rot. Bonds3

About N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 62816102) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID62816102
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2cc(F)c(F)cc2F)C1
InChIInChI=1S/C12H15F3N2/c1-16-6-8-2-3-17(7-8)12-5-10(14)9(13)4-11(12)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyKBCYUMVLKRYOQB-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 102854005
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine (CID 62816102) is N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(c2cc(F)c(F)cc2F)C1.
What is the InChIKey of N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is KBCYUMVLKRYOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-16-6-8-2-3-17(7-8)12-5-10(14)9(13)4-11(12)15/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 244.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62816102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).