3-[1-(3-bromophenoxy)ethyl]aniline

C14H14BrNO — CID 61263689

IUPAC3-[1-(3-bromophenoxy)ethyl]aniline
SMILESCC(Oc1cccc(Br)c1)c1cccc(N)c1
InChIInChI=1S/C14H14BrNO/c1-10(11-4-2-6-13(16)8-11)17-14-7-3-5-12(15)9-14/h2-10H,16H2,1H3
InChIKeyNFQKDUDCJGWQCB-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.17
Rot. Bonds3

About 3-[1-(3-bromophenoxy)ethyl]aniline

3-[1-(3-bromophenoxy)ethyl]aniline (PubChem CID 61263689) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-[1-(3-bromophenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(3-bromophenoxy)ethyl]aniline
PubChem CID61263689
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name3-[1-(3-bromophenoxy)ethyl]aniline
SMILESCC(Oc1cccc(Br)c1)c1cccc(N)c1
InChIInChI=1S/C14H14BrNO/c1-10(11-4-2-6-13(16)8-11)17-14-7-3-5-12(15)9-14/h2-10H,16H2,1H3
InChIKeyNFQKDUDCJGWQCB-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-bromo-5-fluorophenoxy)ethyl]aniline
CID 81322603
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
3-(1-pyridin-3-ylethoxy)aniline
CID 82036967
3-[1-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 102746962
O-[1-(3-bromophenyl)ethoxy]hydroxylamine
CID 87621823
3-[1-(4-bromophenyl)ethyl]aniline
CID 155293877
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)propan-1-one
CID 46307593

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenoxy)ethyl]aniline?
The IUPAC name of 3-[1-(3-bromophenoxy)ethyl]aniline (CID 61263689) is 3-[1-(3-bromophenoxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(3-bromophenoxy)ethyl]aniline?
The canonical SMILES for 3-[1-(3-bromophenoxy)ethyl]aniline is CC(Oc1cccc(Br)c1)c1cccc(N)c1.
What is the InChIKey of 3-[1-(3-bromophenoxy)ethyl]aniline?
The InChIKey is NFQKDUDCJGWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10(11-4-2-6-13(16)8-11)17-14-7-3-5-12(15)9-14/h2-10H,16H2,1H3.
What are the key properties of 3-[1-(3-bromophenoxy)ethyl]aniline?
3-[1-(3-bromophenoxy)ethyl]aniline has a molecular weight of 292.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenoxy)ethyl]aniline is sourced from PubChem (CID 61263689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).