1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine

C15H14BrClFN — CID 102618465

IUPAC1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(Br)c1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H14BrClFN/c16-12-3-1-2-10(6-12)7-14(19)9-11-8-13(18)4-5-15(11)17/h1-6,8,14H,7,9,19H2
InChIKeyJDEVUNBOZKJKQN-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine

1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine (PubChem CID 102618465) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
PubChem CID102618465
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(Br)c1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H14BrClFN/c16-12-3-1-2-10(6-12)7-14(19)9-11-8-13(18)4-5-15(11)17/h1-6,8,14H,7,9,19H2
InChIKeyJDEVUNBOZKJKQN-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
[1-(2-chloro-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 102623264
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
[1-(3-bromophenyl)-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105202692
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine (CID 102618465) is 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine is NC(Cc1cccc(Br)c1)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
The InChIKey is JDEVUNBOZKJKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-12-3-1-2-10(6-12)7-14(19)9-11-8-13(18)4-5-15(11)17/h1-6,8,14H,7,9,19H2.
What are the key properties of 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine has a molecular weight of 342.64 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 102618465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).