N-[1-(3-bromophenyl)propyl]-2-ethylaniline

C17H20BrN — CID 43764541

IUPACN-[1-(3-bromophenyl)propyl]-2-ethylaniline
SMILESCCc1ccccc1NC(CC)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-3-13-8-5-6-11-17(13)19-16(4-2)14-9-7-10-15(18)12-14/h5-12,16,19H,3-4H2,1-2H3
InChIKeyYOGUWNIAMRKERH-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.57
Rot. Bonds5

About N-[1-(3-bromophenyl)propyl]-2-ethylaniline

N-[1-(3-bromophenyl)propyl]-2-ethylaniline (PubChem CID 43764541) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-2-ethylaniline
PubChem CID43764541
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[1-(3-bromophenyl)propyl]-2-ethylaniline
SMILESCCc1ccccc1NC(CC)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-3-13-8-5-6-11-17(13)19-16(4-2)14-9-7-10-15(18)12-14/h5-12,16,19H,3-4H2,1-2H3
InChIKeyYOGUWNIAMRKERH-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
CID 43758454
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
4-bromo-2-[1-(2-ethylanilino)propyl]phenol
CID 43095268
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
2-[1-(3-bromophenyl)propylamino]-6-fluorobenzonitrile
CID 43778312
N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
CID 43780492
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-2-ethylaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-2-ethylaniline (CID 43764541) is N-[1-(3-bromophenyl)propyl]-2-ethylaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-2-ethylaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-2-ethylaniline is CCc1ccccc1NC(CC)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-2-ethylaniline?
The InChIKey is YOGUWNIAMRKERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-13-8-5-6-11-17(13)19-16(4-2)14-9-7-10-15(18)12-14/h5-12,16,19H,3-4H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-2-ethylaniline?
N-[1-(3-bromophenyl)propyl]-2-ethylaniline has a molecular weight of 318.26 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-2-ethylaniline is sourced from PubChem (CID 43764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).