N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline

C17H20BrNO — CID 43682326

IUPACN-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-3-11-20-17-10-5-4-9-16(17)19-13(2)14-7-6-8-15(18)12-14/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyDKYTYVGTWHMBHZ-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.41
Rot. Bonds6

About N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline

N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline (PubChem CID 43682326) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
PubChem CID43682326
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-3-11-20-17-10-5-4-9-16(17)19-13(2)14-7-6-8-15(18)12-14/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyDKYTYVGTWHMBHZ-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline (CID 43682326) is N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline is CCCOc1ccccc1NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline?
The InChIKey is DKYTYVGTWHMBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-11-20-17-10-5-4-9-16(17)19-13(2)14-7-6-8-15(18)12-14/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline?
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline has a molecular weight of 334.26 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 43682326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).