1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol

C16H17BrFNO — CID 62617468

IUPAC1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
SMILESCN(CCC(O)c1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C16H17BrFNO/c1-19(15-7-3-6-14(18)11-15)9-8-16(20)12-4-2-5-13(17)10-12/h2-7,10-11,16,20H,8-9H2,1H3
InChIKeyDUFFZQZVYIWLGB-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds5

About 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol

1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol (PubChem CID 62617468) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
PubChem CID62617468
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
SMILESCN(CCC(O)c1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C16H17BrFNO/c1-19(15-7-3-6-14(18)11-15)9-8-16(20)12-4-2-5-13(17)10-12/h2-7,10-11,16,20H,8-9H2,1H3
InChIKeyDUFFZQZVYIWLGB-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(3-bromophenyl)butan-1-ol
CID 18417756
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol (CID 62617468) is 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol is CN(CCC(O)c1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol?
The InChIKey is DUFFZQZVYIWLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19(15-7-3-6-14(18)11-15)9-8-16(20)12-4-2-5-13(17)10-12/h2-7,10-11,16,20H,8-9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol?
1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol has a molecular weight of 338.22 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol is sourced from PubChem (CID 62617468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).