N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline

C17H20BrNO — CID 63453492

IUPACN-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
SMILESCCOc1cccc(NC(CC)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-3-17(13-7-5-8-14(18)11-13)19-15-9-6-10-16(12-15)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyLRNYESTWTHUVIC-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.41
Rot. Bonds6

About N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline

N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline (PubChem CID 63453492) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
PubChem CID63453492
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
SMILESCCOc1cccc(NC(CC)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-3-17(13-7-5-8-14(18)11-13)19-15-9-6-10-16(12-15)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyLRNYESTWTHUVIC-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-bromophenyl)propyl]-3-chloroaniline
CID 43762074
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
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N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
5-[1-(3-bromophenyl)propylamino]-2-methylphenol
CID 107699992
1-bromo-3-ethoxybenzene;ethane
CID 143900364
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
N-[1-(3-bromophenyl)propyl]-1,3-benzodioxol-5-amine
CID 43766247
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline (CID 63453492) is N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline is CCOc1cccc(NC(CC)c2cccc(Br)c2)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline?
The InChIKey is LRNYESTWTHUVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-17(13-7-5-8-14(18)11-13)19-15-9-6-10-16(12-15)20-4-2/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline?
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline 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)propyl]-3-ethoxyaniline is sourced from PubChem (CID 63453492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).