N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine

C16H15BrCl2FN — CID 43497695

IUPACN-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H15BrCl2FN/c1-2-7-21-16(12-9-11(20)4-5-14(12)17)13-8-10(18)3-6-15(13)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyUGHNYDSGQAATGN-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.98
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine

N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 43497695) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID43497695
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H15BrCl2FN/c1-2-7-21-16(12-9-11(20)4-5-14(12)17)13-8-10(18)3-6-15(13)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyUGHNYDSGQAATGN-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(5-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495638
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(3-bromo-4-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395392
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine (CID 43497695) is N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)ccc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is UGHNYDSGQAATGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-2-7-21-16(12-9-11(20)4-5-14(12)17)13-8-10(18)3-6-15(13)19/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 391.11 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).