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

C15H16BrNO — CID 43756086

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2)cc1Br
InChIInChI=1S/C15H16BrNO/c1-11(17-13-6-4-3-5-7-13)12-8-9-15(18-2)14(16)10-12/h3-11,17H,1-2H3
InChIKeyPKNNREAPLNIBTM-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.63
Rot. Bonds4

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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline (PubChem CID 43756086) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
PubChem CID43756086
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2)cc1Br
InChIInChI=1S/C15H16BrNO/c1-11(17-13-6-4-3-5-7-13)12-8-9-15(18-2)14(16)10-12/h3-11,17H,1-2H3
InChIKeyPKNNREAPLNIBTM-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43763980
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]benzoic acid
CID 43774326
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514886
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
1-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43787276
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline (CID 43756086) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccccc2)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline?
The InChIKey is PKNNREAPLNIBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(17-13-6-4-3-5-7-13)12-8-9-15(18-2)14(16)10-12/h3-11,17H,1-2H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline has a molecular weight of 306.20 g/mol, XLogP of 4.63, 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]aniline is sourced from PubChem (CID 43756086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).