3-bromo-N-ethyl-N-propylaniline

C11H16BrN — CID 58544975

IUPAC3-bromo-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-3-8-13(4-2)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8H2,1-2H3
InChIKeyRNNDFFXNUIIIHQ-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.69
Rot. Bonds4

About 3-bromo-N-ethyl-N-propylaniline

3-bromo-N-ethyl-N-propylaniline (PubChem CID 58544975) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-propylaniline.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-propylaniline
PubChem CID58544975
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name3-bromo-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1cccc(Br)c1
InChIInChI=1S/C11H16BrN/c1-3-8-13(4-2)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8H2,1-2H3
InChIKeyRNNDFFXNUIIIHQ-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
2-(3-bromo-N-ethylanilino)acetonitrile
CID 130627676
4-(3-bromo-N-propylanilino)butanoic acid
CID 100519019
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
N-(3-bromophenyl)-N-propylacetamide
CID 67272874
1-(3-bromophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63493466
CID 138691667
CID 138691667
N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide
CID 19760221
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-[(3-bromo-N-ethylanilino)methyl]benzenesulfonic acid
CID 21418904
(2S)-2-(3-bromo-N-propylanilino)butanoic acid
CID 100519030
4-bromo-N,N-dipropylaniline
CID 10445113

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-propylaniline?
The IUPAC name of 3-bromo-N-ethyl-N-propylaniline (CID 58544975) is 3-bromo-N-ethyl-N-propylaniline.
What is the SMILES notation for 3-bromo-N-ethyl-N-propylaniline?
The canonical SMILES for 3-bromo-N-ethyl-N-propylaniline is CCCN(CC)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-N-propylaniline?
The InChIKey is RNNDFFXNUIIIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-8-13(4-2)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-propylaniline?
3-bromo-N-ethyl-N-propylaniline has a molecular weight of 242.16 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-propylaniline is sourced from PubChem (CID 58544975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).