[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol

C15H15BrFNO — CID 61416355

IUPAC[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
SMILESCN(Cc1cccc(Br)c1)c1ccc(F)cc1CO
InChIInChI=1S/C15H15BrFNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyISIUQVDYCZSZMS-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.72
Rot. Bonds4

About [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol

[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol (PubChem CID 61416355) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
PubChem CID61416355
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
SMILESCN(Cc1cccc(Br)c1)c1ccc(F)cc1CO
InChIInChI=1S/C15H15BrFNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyISIUQVDYCZSZMS-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol
CID 28963677
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol?
The IUPAC name of [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol (CID 61416355) is [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol is CN(Cc1cccc(Br)c1)c1ccc(F)cc1CO.
What is the InChIKey of [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol?
The InChIKey is ISIUQVDYCZSZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)10-19/h2-8,19H,9-10H2,1H3.
What are the key properties of [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol?
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol has a molecular weight of 324.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol is sourced from PubChem (CID 61416355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).