N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine

C15H18F2N2O — CID 115406448

IUPACN-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2cc(C(CN)NCC(F)F)ccc2c1
InChIInChI=1S/C15H18F2N2O/c1-20-13-5-4-10-6-12(3-2-11(10)7-13)14(8-18)19-9-15(16)17/h2-7,14-15,19H,8-9,18H2,1H3
InChIKeyABITWYHRYMCBSI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.70
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine (PubChem CID 115406448) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
PubChem CID115406448
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2cc(C(CN)NCC(F)F)ccc2c1
InChIInChI=1S/C15H18F2N2O/c1-20-13-5-4-10-6-12(3-2-11(10)7-13)14(8-18)19-9-15(16)17/h2-7,14-15,19H,8-9,18H2,1H3
InChIKeyABITWYHRYMCBSI-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 113303693
2-(2,2-dimethylhydrazinyl)-2-(6-methoxynaphthalen-2-yl)ethanamine
CID 83011600
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 171312841
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine (CID 115406448) is N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine is COc1ccc2cc(C(CN)NCC(F)F)ccc2c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
The InChIKey is ABITWYHRYMCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-20-13-5-4-10-6-12(3-2-11(10)7-13)14(8-18)19-9-15(16)17/h2-7,14-15,19H,8-9,18H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine has a molecular weight of 280.32 g/mol, XLogP of 2.70, 6 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-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115406448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).