2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol

C14H23BrN2O — CID 114061761

IUPAC2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C14H23BrN2O/c1-14(2,3)16-10-11-9-12(15)5-6-13(11)17(4)7-8-18/h5-6,9,16,18H,7-8,10H2,1-4H3
InChIKeyBFSVYRAVWKDPSA-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol

2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol (PubChem CID 114061761) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol
PubChem CID114061761
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C14H23BrN2O/c1-14(2,3)16-10-11-9-12(15)5-6-13(11)17(4)7-8-18/h5-6,9,16,18H,7-8,10H2,1-4H3
InChIKeyBFSVYRAVWKDPSA-UHFFFAOYSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571
6-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702576
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 114061769
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
CID 63550583
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
CID 114369376
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 114061749

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol (CID 114061761) is 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol is CN(CCO)c1ccc(Br)cc1CNC(C)(C)C.
What is the InChIKey of 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol?
The InChIKey is BFSVYRAVWKDPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-14(2,3)16-10-11-9-12(15)5-6-13(11)17(4)7-8-18/h5-6,9,16,18H,7-8,10H2,1-4H3.
What are the key properties of 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol?
2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol has a molecular weight of 315.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol is sourced from PubChem (CID 114061761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).