2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine

C18H21BrFN — CID 105374882

IUPAC2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cccc(Br)c1)Cc1cc(F)ccc1C
InChIInChI=1S/C18H21BrFN/c1-13-6-7-18(20)11-16(13)9-15(12-21-2)8-14-4-3-5-17(19)10-14/h3-7,10-11,15,21H,8-9,12H2,1-2H3
InChIKeyAGYCFMUSBIKDLD-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.52
Rot. Bonds6

About 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine

2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine (PubChem CID 105374882) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
PubChem CID105374882
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cccc(Br)c1)Cc1cc(F)ccc1C
InChIInChI=1S/C18H21BrFN/c1-13-6-7-18(20)11-16(13)9-15(12-21-2)8-14-4-3-5-17(19)10-14/h3-7,10-11,15,21H,8-9,12H2,1-2H3
InChIKeyAGYCFMUSBIKDLD-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635
2-[(3-bromophenyl)methyl]-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 62516122
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-[(3-bromophenyl)methyl]-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
CID 82925875
2-[(3-bromophenyl)methyl]-3-(4-chloro-3-fluorophenyl)-N-methylpropan-1-amine
CID 107897206
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-bromophenyl)-N-methylpropan-1-amine
CID 63521897
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
2-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376010

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine (CID 105374882) is 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine is CNCC(Cc1cccc(Br)c1)Cc1cc(F)ccc1C.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is AGYCFMUSBIKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-13-6-7-18(20)11-16(13)9-15(12-21-2)8-14-4-3-5-17(19)10-14/h3-7,10-11,15,21H,8-9,12H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine?
2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 105374882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).