N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

C17H29BrN2O — CID 82955315

IUPACN-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCNC(C)c1cc(Br)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H29BrN2O/c1-12(2)20(13(3)4)9-10-21-17-8-7-15(18)11-16(17)14(5)19-6/h7-8,11-14,19H,9-10H2,1-6H3
InChIKeyZWHXCYKRMIMGER-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.23
Rot. Bonds8

About N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 82955315) has the molecular formula C17H29BrN2O and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID82955315
Molecular FormulaC17H29BrN2O
Molecular Weight357.34 g/mol
Exact Mass356.15
IUPAC NameN-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCNC(C)c1cc(Br)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H29BrN2O/c1-12(2)20(13(3)4)9-10-21-17-8-7-15(18)11-16(17)14(5)19-6/h7-8,11-14,19H,9-10H2,1-6H3
InChIKeyZWHXCYKRMIMGER-UHFFFAOYSA-N
XLogP4.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]-N-methylethanamine
CID 62393265
3-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82976384
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62392944
1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898557
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 62393198
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 82955315) is N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is CNC(C)c1cc(Br)ccc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZWHXCYKRMIMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2O/c1-12(2)20(13(3)4)9-10-21-17-8-7-15(18)11-16(17)14(5)19-6/h7-8,11-14,19H,9-10H2,1-6H3.
What are the key properties of N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 357.34 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 82955315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).