N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine

C12H14BrF2N — CID 115717252

IUPACN-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
SMILESC=C(Br)CNC(CC)c1ccc(F)cc1F
InChIInChI=1S/C12H14BrF2N/c1-3-12(16-7-8(2)13)10-5-4-9(14)6-11(10)15/h4-6,12,16H,2-3,7H2,1H3
InChIKeyIHEPAKDKDTVRKI-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.91
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine

N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine (PubChem CID 115717252) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
PubChem CID115717252
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC NameN-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
SMILESC=C(Br)CNC(CC)c1ccc(F)cc1F
InChIInChI=1S/C12H14BrF2N/c1-3-12(16-7-8(2)13)10-5-4-9(14)6-11(10)15/h4-6,12,16H,2-3,7H2,1H3
InChIKeyIHEPAKDKDTVRKI-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81348608
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine (CID 115717252) is N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine is C=C(Br)CNC(CC)c1ccc(F)cc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine?
The InChIKey is IHEPAKDKDTVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-3-12(16-7-8(2)13)10-5-4-9(14)6-11(10)15/h4-6,12,16H,2-3,7H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine?
N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine has a molecular weight of 290.15 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine is sourced from PubChem (CID 115717252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).