4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline

C16H18BrNO — CID 43192646

IUPAC4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
SMILESCOc1ccccc1C(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H18BrNO/c1-11-10-13(8-9-15(11)17)18-12(2)14-6-4-5-7-16(14)19-3/h4-10,12,18H,1-3H3
InChIKeyAOUMMKHVRKNFQB-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.94
Rot. Bonds4

About 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline

4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline (PubChem CID 43192646) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
PubChem CID43192646
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
SMILESCOc1ccccc1C(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H18BrNO/c1-11-10-13(8-9-15(11)17)18-12(2)14-6-4-5-7-16(14)19-3/h4-10,12,18H,1-3H3
InChIKeyAOUMMKHVRKNFQB-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
CID 43106859
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline (CID 43192646) is 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline is COc1ccccc1C(C)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline?
The InChIKey is AOUMMKHVRKNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-10-13(8-9-15(11)17)18-12(2)14-6-4-5-7-16(14)19-3/h4-10,12,18H,1-3H3.
What are the key properties of 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline?
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline has a molecular weight of 320.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 43192646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).