N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine

C16H15Br2F2N — CID 106646205

IUPACN-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1F)c1c(F)cccc1Br
InChIInChI=1S/C16H15Br2F2N/c1-2-9-21-16(10-5-3-7-12(18)15(10)20)14-11(17)6-4-8-13(14)19/h3-8,16,21H,2,9H2,1H3
InChIKeyVLISVSMQOYHJJY-UHFFFAOYSA-N
MW419.11 g/mol
LogP5.58
Rot. Bonds5

About N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine

N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine (PubChem CID 106646205) has the molecular formula C16H15Br2F2N and a molecular weight of 419.11 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
PubChem CID106646205
Molecular FormulaC16H15Br2F2N
Molecular Weight419.11 g/mol
Exact Mass416.95
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1F)c1c(F)cccc1Br
InChIInChI=1S/C16H15Br2F2N/c1-2-9-21-16(10-5-3-7-12(18)15(10)20)14-11(17)6-4-8-13(14)19/h3-8,16,21H,2,9H2,1H3
InChIKeyVLISVSMQOYHJJY-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.11
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 114558957
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
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 106645278
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine (CID 106646205) is N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(Br)c1F)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is VLISVSMQOYHJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F2N/c1-2-9-21-16(10-5-3-7-12(18)15(10)20)14-11(17)6-4-8-13(14)19/h3-8,16,21H,2,9H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine?
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 419.11 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106646205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).