N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine

C16H16BrClFN — CID 43694842

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCc1ccc(Br)cc1F
InChIInChI=1S/C16H16BrClFN/c1-11(7-12-3-2-4-15(18)8-12)20-10-13-5-6-14(17)9-16(13)19/h2-6,8-9,11,20H,7,10H2,1H3
InChIKeyCKYPKPGUMMJNOP-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.96
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine

N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine (PubChem CID 43694842) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine
PubChem CID43694842
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCc1ccc(Br)cc1F
InChIInChI=1S/C16H16BrClFN/c1-11(7-12-3-2-4-15(18)8-12)20-10-13-5-6-14(17)9-16(13)19/h2-6,8-9,11,20H,7,10H2,1H3
InChIKeyCKYPKPGUMMJNOP-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine (CID 43694842) is N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine is CC(Cc1cccc(Cl)c1)NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine?
The InChIKey is CKYPKPGUMMJNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-11(7-12-3-2-4-15(18)8-12)20-10-13-5-6-14(17)9-16(13)19/h2-6,8-9,11,20H,7,10H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine has a molecular weight of 356.67 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)propan-2-amine is sourced from PubChem (CID 43694842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).