1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine

C17H18BrF2N — CID 43695741

IUPAC1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)c1c(F)cccc1F
InChIInChI=1S/C17H18BrF2N/c1-11(10-13-6-8-14(18)9-7-13)21-12(2)17-15(19)4-3-5-16(17)20/h3-9,11-12,21H,10H2,1-2H3
InChIKeyIYXGYCQGIICGSQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.01
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine

1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine (PubChem CID 43695741) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
PubChem CID43695741
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)c1c(F)cccc1F
InChIInChI=1S/C17H18BrF2N/c1-11(10-13-6-8-14(18)9-7-13)21-12(2)17-15(19)4-3-5-16(17)20/h3-9,11-12,21H,10H2,1-2H3
InChIKeyIYXGYCQGIICGSQ-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 43101920
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
CID 114560967
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine (CID 43695741) is 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NC(C)c1c(F)cccc1F.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine?
The InChIKey is IYXGYCQGIICGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-11(10-13-6-8-14(18)9-7-13)21-12(2)17-15(19)4-3-5-16(17)20/h3-9,11-12,21H,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine?
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine has a molecular weight of 354.24 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43695741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).