1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol

C17H20BrNO — CID 82969724

IUPAC1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
SMILESCCN(c1ccccc1C)c1cc(Br)ccc1C(C)O
InChIInChI=1S/C17H20BrNO/c1-4-19(16-8-6-5-7-12(16)2)17-11-14(18)9-10-15(17)13(3)20/h5-11,13,20H,4H2,1-3H3
InChIKeyCFYZMYULQQKVOF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.97
Rot. Bonds4

About 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol

1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol (PubChem CID 82969724) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
PubChem CID82969724
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
SMILESCCN(c1ccccc1C)c1cc(Br)ccc1C(C)O
InChIInChI=1S/C17H20BrNO/c1-4-19(16-8-6-5-7-12(16)2)17-11-14(18)9-10-15(17)13(3)20/h5-11,13,20H,4H2,1-3H3
InChIKeyCFYZMYULQQKVOF-UHFFFAOYSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-bromo-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944645
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone
CID 82967655
(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944650
4-bromo-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 63462845
1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
CID 82971146
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
CID 82968647
3-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]propanenitrile
CID 82970933
2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
CID 82969371
1-[5-(N-ethyl-2-methylanilino)-2-pyridinyl]ethanol
CID 83132708
1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
CID 82969604
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol (CID 82969724) is 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol is CCN(c1ccccc1C)c1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol?
The InChIKey is CFYZMYULQQKVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-19(16-8-6-5-7-12(16)2)17-11-14(18)9-10-15(17)13(3)20/h5-11,13,20H,4H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol?
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol has a molecular weight of 334.26 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol is sourced from PubChem (CID 82969724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).