[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine

C14H19F3N2O — CID 64570614

IUPAC[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCC1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2O/c1-20-9-10-4-5-19(8-10)12-3-2-11(7-18)13(6-12)14(15,16)17/h2-3,6,10H,4-5,7-9,18H2,1H3
InChIKeyNZNBEWLYVQDYGM-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.64
Rot. Bonds4

About [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine

[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 64570614) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID64570614
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCC1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2O/c1-20-9-10-4-5-19(8-10)12-3-2-11(7-18)13(6-12)14(15,16)17/h2-3,6,10H,4-5,7-9,18H2,1H3
InChIKeyNZNBEWLYVQDYGM-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
[4-(2-methyl-1,4-oxazepan-4-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62988072
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)pyrrolidine
CID 107084064
[2-[4-(methoxymethyl)piperidin-1-yl]-4-methylphenyl]methanamine
CID 63973998
[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 103530766
1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 79600312
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
3-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 80735368
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]benzoate
CID 64598858
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperidine
CID 107085565
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine (CID 64570614) is [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine is COCC1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1.
What is the InChIKey of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NZNBEWLYVQDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-20-9-10-4-5-19(8-10)12-3-2-11(7-18)13(6-12)14(15,16)17/h2-3,6,10H,4-5,7-9,18H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine?
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 288.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 64570614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).