2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine

C13H18F2N2O — CID 16790891

IUPAC2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccc(OC(F)F)cc1)N1CCCC1
InChIInChI=1S/C13H18F2N2O/c14-13(15)18-11-5-3-10(4-6-11)12(9-16)17-7-1-2-8-17/h3-6,12-13H,1-2,7-9,16H2
InChIKeyLUCLYKZLDNVJPJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine

2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 16790891) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
PubChem CID16790891
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccc(OC(F)F)cc1)N1CCCC1
InChIInChI=1S/C13H18F2N2O/c14-13(15)18-11-5-3-10(4-6-11)12(9-16)17-7-1-2-8-17/h3-6,12-13H,1-2,7-9,16H2
InChIKeyLUCLYKZLDNVJPJ-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581264
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011708
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
CID 43211843
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine (CID 16790891) is 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine is NCC(c1ccc(OC(F)F)cc1)N1CCCC1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is LUCLYKZLDNVJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)18-11-5-3-10(4-6-11)12(9-16)17-7-1-2-8-17/h3-6,12-13H,1-2,7-9,16H2.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 256.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 16790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).