N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine

C13H20F2N2O — CID 115406289

IUPACN-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(C(CN)NCC(F)F)c1
InChIInChI=1S/C13H20F2N2O/c1-2-6-18-11-5-3-4-10(7-11)12(8-16)17-9-13(14)15/h3-5,7,12-13,17H,2,6,8-9,16H2,1H3
InChIKeyONHWQKLCCBOPPL-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.33
Rot. Bonds8

About N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 115406289) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID115406289
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC NameN-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(C(CN)NCC(F)F)c1
InChIInChI=1S/C13H20F2N2O/c1-2-6-18-11-5-3-4-10(7-11)12(8-16)17-9-13(14)15/h3-5,7,12-13,17H,2,6,8-9,16H2,1H3
InChIKeyONHWQKLCCBOPPL-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115406448
N-(2-ethylbutyl)-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104687
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine (CID 115406289) is N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc(C(CN)NCC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is ONHWQKLCCBOPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-2-6-18-11-5-3-4-10(7-11)12(8-16)17-9-13(14)15/h3-5,7,12-13,17H,2,6,8-9,16H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 258.31 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115406289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).