N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine

C18H21BrFN — CID 155119466

IUPACN-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
InChIInChI=1S/C18H21BrFN/c1-14(13-16-6-10-18(20)11-7-16)21-12-2-3-15-4-8-17(19)9-5-15/h4-11,14,21H,2-3,12-13H2,1H3
InChIKeyABAAZBBTLJOCIY-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.74
Rot. Bonds7

About N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine

N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 155119466) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID155119466
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC NameN-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
InChIInChI=1S/C18H21BrFN/c1-14(13-16-6-10-18(20)11-7-16)21-12-2-3-15-4-8-17(19)9-5-15/h4-11,14,21H,2-3,12-13H2,1H3
InChIKeyABAAZBBTLJOCIY-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-alpha-methylbenzeneethanamine
CID 205668
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
[2-(3-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061897
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
p-Bromomethamphetamine
CID 107257
2-Bromomethamphetamine
CID 107262
N-benzyl-1-(4-bromophenyl)methanamine
CID 3876431
1-(4-Bromo-2,5-difluorophenyl)-2-aminopropane
CID 44567544
trans-(1S,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145981420
trans-(1S,2R)-N-[(4-bromophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145987759
N-(4-bromobenzyl)-N-[2-(4-fluorophenyl)ethyl]amine
CID 1825359

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine (CID 155119466) is N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is ABAAZBBTLJOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-14(13-16-6-10-18(20)11-7-16)21-12-2-3-15-4-8-17(19)9-5-15/h4-11,14,21H,2-3,12-13H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 350.28 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 155119466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).