3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol

C12H16BrF2NO — CID 113262546

IUPAC3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol
SMILESCCC(NCC(O)C(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H16BrF2NO/c1-2-10(16-7-11(17)12(14)15)8-4-3-5-9(13)6-8/h3-6,10-12,16-17H,2,7H2,1H3
InChIKeyBXRONHXDTCNDKC-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.12
Rot. Bonds6

About 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol

3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol (PubChem CID 113262546) has the molecular formula C12H16BrF2NO and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol
PubChem CID113262546
Molecular FormulaC12H16BrF2NO
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol
SMILESCCC(NCC(O)C(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H16BrF2NO/c1-2-10(16-7-11(17)12(14)15)8-4-3-5-9(13)6-8/h3-6,10-12,16-17H,2,7H2,1H3
InChIKeyBXRONHXDTCNDKC-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
4-bromo-2-[1-[(3,3-difluoro-2-hydroxypropyl)amino]propyl]phenol
CID 104924965
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
1-(3-bromophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 103082647
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
3-[2-[1-(3-bromophenyl)propylamino]ethylsulfanyl]propan-1-ol
CID 113261268
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol (CID 113262546) is 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol is CCC(NCC(O)C(F)F)c1cccc(Br)c1.
What is the InChIKey of 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol?
The InChIKey is BXRONHXDTCNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2NO/c1-2-10(16-7-11(17)12(14)15)8-4-3-5-9(13)6-8/h3-6,10-12,16-17H,2,7H2,1H3.
What are the key properties of 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol?
3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol has a molecular weight of 308.17 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 113262546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).