N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline

C16H17BrClN — CID 43111547

IUPACN-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
SMILESCCC(Nc1ccc(C)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClN/c1-3-16(12-5-7-13(17)8-6-12)19-14-9-4-11(2)15(18)10-14/h4-10,16,19H,3H2,1-2H3
InChIKeyOGHHGJJTGJOYAJ-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.97
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline

N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline (PubChem CID 43111547) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
PubChem CID43111547
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
SMILESCCC(Nc1ccc(C)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClN/c1-3-16(12-5-7-13(17)8-6-12)19-14-9-4-11(2)15(18)10-14/h4-10,16,19H,3H2,1-2H3
InChIKeyOGHHGJJTGJOYAJ-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline (CID 43111547) is N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline is CCC(Nc1ccc(C)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline?
The InChIKey is OGHHGJJTGJOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-3-16(12-5-7-13(17)8-6-12)19-14-9-4-11(2)15(18)10-14/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline?
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline has a molecular weight of 338.68 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline is sourced from PubChem (CID 43111547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).