(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine

C9H12F2N2O — CID 66517155

IUPAC(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccccc1OC(F)F
InChIInChI=1S/C9H12F2N2O/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-4,7,9H,5,12-13H2/t7-/m1/s1
InChIKeyGCVAABMEBLQOKV-SSDOTTSWSA-N
MW202.20 g/mol
LogP1.25
Rot. Bonds4

About (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine

(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 66517155) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID66517155
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccccc1OC(F)F
InChIInChI=1S/C9H12F2N2O/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-4,7,9H,5,12-13H2/t7-/m1/s1
InChIKeyGCVAABMEBLQOKV-SSDOTTSWSA-N
XLogP1.25
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
(1R)-1-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171211394
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115844681
(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
CID 66518149
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 16780971

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine (CID 66517155) is (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine is NC[C@@H](N)c1ccccc1OC(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is GCVAABMEBLQOKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-4,7,9H,5,12-13H2/t7-/m1/s1.
What are the key properties of (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine?
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 202.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 66517155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).