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

C15H18F2N2O — CID 115406276

IUPACN-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2ccccc2c1C(CN)NCC(F)F
InChIInChI=1S/C15H18F2N2O/c1-20-13-7-6-10-4-2-3-5-11(10)15(13)12(8-18)19-9-14(16)17/h2-7,12,14,19H,8-9,18H2,1H3
InChIKeyJOQMPSBRLUWDOM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.70
Rot. Bonds6

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

N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine (PubChem CID 115406276) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine
PubChem CID115406276
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2ccccc2c1C(CN)NCC(F)F
InChIInChI=1S/C15H18F2N2O/c1-20-13-7-6-10-4-2-3-5-11(10)15(13)12(8-18)19-9-14(16)17/h2-7,12,14,19H,8-9,18H2,1H3
InChIKeyJOQMPSBRLUWDOM-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

1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
CID 62069963
1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 113303693
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43380370
2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
CID 79415266
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115406448
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine (CID 115406276) is N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine is COc1ccc2ccccc2c1C(CN)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine?
The InChIKey is JOQMPSBRLUWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-20-13-7-6-10-4-2-3-5-11(10)15(13)12(8-18)19-9-14(16)17/h2-7,12,14,19H,8-9,18H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-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-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 115406276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).