N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline

C17H20BrNO — CID 43763980

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
SMILESCOc1ccc(C(C)Nc2cc(C)cc(C)c2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-11-7-12(2)9-15(8-11)19-13(3)14-5-6-17(20-4)16(18)10-14/h5-10,13,19H,1-4H3
InChIKeyFIKQXCIXRSOYER-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.25
Rot. Bonds4

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline (PubChem CID 43763980) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
PubChem CID43763980
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
SMILESCOc1ccc(C(C)Nc2cc(C)cc(C)c2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-11-7-12(2)9-15(8-11)19-13(3)14-5-6-17(20-4)16(18)10-14/h5-10,13,19H,1-4H3
InChIKeyFIKQXCIXRSOYER-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloro-4-methylaniline
CID 43772643
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]benzoic acid
CID 43774326
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3,5-dimethylphenyl)acetamide
CID 112797123
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-iodo-2-methylaniline
CID 43785212
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline (CID 43763980) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline is COc1ccc(C(C)Nc2cc(C)cc(C)c2)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline?
The InChIKey is FIKQXCIXRSOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-7-12(2)9-15(8-11)19-13(3)14-5-6-17(20-4)16(18)10-14/h5-10,13,19H,1-4H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline is sourced from PubChem (CID 43763980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).