N-[1-(2-bromophenyl)ethyl]-4-propylaniline

C17H20BrN — CID 43097008

IUPACN-[1-(2-bromophenyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrN/c1-3-6-14-9-11-15(12-10-14)19-13(2)16-7-4-5-8-17(16)18/h4-5,7-13,19H,3,6H2,1-2H3
InChIKeyMKRZJNSEWJKHBQ-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.57
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-4-propylaniline

N-[1-(2-bromophenyl)ethyl]-4-propylaniline (PubChem CID 43097008) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-propylaniline.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-propylaniline
PubChem CID43097008
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrN/c1-3-6-14-9-11-15(12-10-14)19-13(2)16-7-4-5-8-17(16)18/h4-5,7-13,19H,3,6H2,1-2H3
InChIKeyMKRZJNSEWJKHBQ-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

N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132
N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
CID 172883004
N-(1-phenylethyl)-4-propylaniline
CID 43078217
N-[1-(2-bromophenyl)ethyl]-2-propylaniline
CID 43687403
4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43099731
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
4-propyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43769073
methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
CID 43730312
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-propylaniline?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-propylaniline (CID 43097008) is N-[1-(2-bromophenyl)ethyl]-4-propylaniline.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-propylaniline?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-propylaniline is CCCc1ccc(NC(C)c2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-propylaniline?
The InChIKey is MKRZJNSEWJKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-6-14-9-11-15(12-10-14)19-13(2)16-7-4-5-8-17(16)18/h4-5,7-13,19H,3,6H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-propylaniline?
N-[1-(2-bromophenyl)ethyl]-4-propylaniline 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-(2-bromophenyl)ethyl]-4-propylaniline is sourced from PubChem (CID 43097008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).