2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol

C12H17ClF2N2O — CID 107480561

IUPAC2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
SMILESCC(N)c1ccc(N(CCO)CC(F)F)c(Cl)c1
InChIInChI=1S/C12H17ClF2N2O/c1-8(16)9-2-3-11(10(13)6-9)17(4-5-18)7-12(14)15/h2-3,6,8,12,18H,4-5,7,16H2,1H3
InChIKeyTUXDSUOCYYHSSL-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.42
Rot. Bonds6

About 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol

2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol (PubChem CID 107480561) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
PubChem CID107480561
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
SMILESCC(N)c1ccc(N(CCO)CC(F)F)c(Cl)c1
InChIInChI=1S/C12H17ClF2N2O/c1-8(16)9-2-3-11(10(13)6-9)17(4-5-18)7-12(14)15/h2-3,6,8,12,18H,4-5,7,16H2,1H3
InChIKeyTUXDSUOCYYHSSL-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[4-[(tert-butylamino)methyl]-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481469
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylprop-2-enyl)aniline
CID 55189059
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol (CID 107480561) is 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol is CC(N)c1ccc(N(CCO)CC(F)F)c(Cl)c1.
What is the InChIKey of 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
The InChIKey is TUXDSUOCYYHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF2N2O/c1-8(16)9-2-3-11(10(13)6-9)17(4-5-18)7-12(14)15/h2-3,6,8,12,18H,4-5,7,16H2,1H3.
What are the key properties of 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol has a molecular weight of 278.73 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol is sourced from PubChem (CID 107480561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).