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

C17H19BrFN — CID 79747525

IUPACN-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-2-10-20-17(11-13-6-4-3-5-7-13)14-8-9-16(19)15(18)12-14/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeyQRLCIJWPZGJNPI-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds6

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

N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine (PubChem CID 79747525) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
PubChem CID79747525
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-2-10-20-17(11-13-6-4-3-5-7-13)14-8-9-16(19)15(18)12-14/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeyQRLCIJWPZGJNPI-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414506
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine (CID 79747525) is N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine?
The InChIKey is QRLCIJWPZGJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-10-20-17(11-13-6-4-3-5-7-13)14-8-9-16(19)15(18)12-14/h3-9,12,17,20H,2,10-11H2,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine?
N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 79747525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).