N-[2-(3-bromophenoxy)ethyl]-4-propylaniline

C17H20BrNO — CID 63489752

IUPACN-[2-(3-bromophenoxy)ethyl]-4-propylaniline
SMILESCCCc1ccc(NCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-2-4-14-7-9-16(10-8-14)19-11-12-20-17-6-3-5-15(18)13-17/h3,5-10,13,19H,2,4,11-12H2,1H3
InChIKeyMIIOKOCKRNXPDF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.89
Rot. Bonds7

About N-[2-(3-bromophenoxy)ethyl]-4-propylaniline

N-[2-(3-bromophenoxy)ethyl]-4-propylaniline (PubChem CID 63489752) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-4-propylaniline.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-4-propylaniline
PubChem CID63489752
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-4-propylaniline
SMILESCCCc1ccc(NCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-2-4-14-7-9-16(10-8-14)19-11-12-20-17-6-3-5-15(18)13-17/h3,5-10,13,19H,2,4,11-12H2,1H3
InChIKeyMIIOKOCKRNXPDF-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
4-bromo-N-[2-(3-bromophenoxy)ethyl]-3-methylaniline
CID 63488959
4-bromo-N-[2-(4-butylphenoxy)ethyl]aniline
CID 115493403
N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline
CID 55196746
4-bromo-N-[2-[3-(methoxymethyl)phenoxy]ethyl]aniline
CID 63984837
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
N-[2-(3-bromophenoxy)ethyl]-2-methylsulfanylaniline
CID 107644523
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)aniline
CID 65024389
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-propylaniline?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-propylaniline (CID 63489752) is N-[2-(3-bromophenoxy)ethyl]-4-propylaniline.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-4-propylaniline?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-4-propylaniline is CCCc1ccc(NCCOc2cccc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-4-propylaniline?
The InChIKey is MIIOKOCKRNXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-4-14-7-9-16(10-8-14)19-11-12-20-17-6-3-5-15(18)13-17/h3,5-10,13,19H,2,4,11-12H2,1H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-4-propylaniline?
N-[2-(3-bromophenoxy)ethyl]-4-propylaniline has a molecular weight of 334.26 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-4-propylaniline is sourced from PubChem (CID 63489752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).