N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine

C17H18BrF2N — CID 105406037

IUPACN-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)c1ccccc1Br
InChIInChI=1S/C17H18BrF2N/c1-2-7-21-17(15-5-3-4-6-16(15)18)10-12-8-13(19)11-14(20)9-12/h3-6,8-9,11,17,21H,2,7,10H2,1H3
InChIKeyAIMQHQULWZVKJA-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.01
Rot. Bonds6

About N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine

N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine (PubChem CID 105406037) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
PubChem CID105406037
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC NameN-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)c1ccccc1Br
InChIInChI=1S/C17H18BrF2N/c1-2-7-21-17(15-5-3-4-6-16(15)18)10-12-8-13(19)11-14(20)9-12/h3-6,8-9,11,17,21H,2,7,10H2,1H3
InChIKeyAIMQHQULWZVKJA-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 107969351
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 106645345
N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105412533
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 107953643
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 106762282

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine (CID 105406037) is N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)cc(F)c1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is AIMQHQULWZVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-7-21-17(15-5-3-4-6-16(15)18)10-12-8-13(19)11-14(20)9-12/h3-6,8-9,11,17,21H,2,7,10H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 354.24 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105406037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).