2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol

C11H16F2N2O — CID 115526912

IUPAC2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
SMILESNCC(NCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C11H16F2N2O/c12-11(13)9-3-1-2-8(6-9)10(7-14)15-4-5-16/h1-3,6,10-11,15-16H,4-5,7,14H2
InChIKeyRVQVDAVIBYIOAP-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.21
Rot. Bonds6

About 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol

2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol (PubChem CID 115526912) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
PubChem CID115526912
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
SMILESNCC(NCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C11H16F2N2O/c12-11(13)9-3-1-2-8(6-9)10(7-14)15-4-5-16/h1-3,6,10-11,15-16H,4-5,7,14H2
InChIKeyRVQVDAVIBYIOAP-UHFFFAOYSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylethyl)-1-[3-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115526938
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
CID 65378448
2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 115528119
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528120
1-(3-chlorophenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643330
[3-(difluoromethyl)phenyl]methanediol
CID 162564421

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol?
The IUPAC name of 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol (CID 115526912) is 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol is NCC(NCCO)c1cccc(C(F)F)c1.
What is the InChIKey of 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol?
The InChIKey is RVQVDAVIBYIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c12-11(13)9-3-1-2-8(6-9)10(7-14)15-4-5-16/h1-3,6,10-11,15-16H,4-5,7,14H2.
What are the key properties of 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol?
2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol has a molecular weight of 230.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol is sourced from PubChem (CID 115526912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).