3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline

C14H21BrN2O — CID 62560814

IUPAC3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1(C)CN(CCNc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H21BrN2O/c1-14(2)11-17(8-9-18-14)7-6-16-13-5-3-4-12(15)10-13/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyLXURGHUJZRDVTC-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.97
Rot. Bonds4

About 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline

3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline (PubChem CID 62560814) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline
PubChem CID62560814
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1(C)CN(CCNc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H21BrN2O/c1-14(2)11-17(8-9-18-14)7-6-16-13-5-3-4-12(15)10-13/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyLXURGHUJZRDVTC-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 62570408
3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561539
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
3-bromo-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]aniline
CID 62559315
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
CID 63024508
N'-(3-bromophenyl)-N-(oxan-4-yl)ethane-1,2-diamine
CID 75499211
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592491
2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119868874
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-ol
CID 82780908

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline (CID 62560814) is 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline is CC1(C)CN(CCNc2cccc(Br)c2)CCO1.
What is the InChIKey of 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline?
The InChIKey is LXURGHUJZRDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(2)11-17(8-9-18-14)7-6-16-13-5-3-4-12(15)10-13/h3-5,10,16H,6-9,11H2,1-2H3.
What are the key properties of 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline?
3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline has a molecular weight of 313.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 62560814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).