3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine

C9H17F3N2O — CID 121203267

IUPAC3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
SMILESCOC1(C(F)(F)F)CCN(CCCN)C1
InChIInChI=1S/C9H17F3N2O/c1-15-8(9(10,11)12)3-6-14(7-8)5-2-4-13/h2-7,13H2,1H3
InChIKeyQQXSPSAKJAKJGJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.99
Rot. Bonds4

About 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine

3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine (PubChem CID 121203267) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
PubChem CID121203267
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
SMILESCOC1(C(F)(F)F)CCN(CCCN)C1
InChIInChI=1S/C9H17F3N2O/c1-15-8(9(10,11)12)3-6-14(7-8)5-2-4-13/h2-7,13H2,1H3
InChIKeyQQXSPSAKJAKJGJ-UHFFFAOYSA-N
XLogP0.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 84736843
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
3-(4,4-difluoroazepan-1-yl)propan-1-amine
CID 115019061
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249
1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine
CID 171337755
3-chloro-1-[(3S)-3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129498760
N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 172904027
2-[(3S)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129497204
2-[(3R)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129497203
3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine
CID 121204411
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine?
The IUPAC name of 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine (CID 121203267) is 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine is COC1(C(F)(F)F)CCN(CCCN)C1.
What is the InChIKey of 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine?
The InChIKey is QQXSPSAKJAKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-15-8(9(10,11)12)3-6-14(7-8)5-2-4-13/h2-7,13H2,1H3.
What are the key properties of 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine?
3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine is sourced from PubChem (CID 121203267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).