2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine

C18H21BrFN — CID 79436436

IUPAC2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(F)c1)c1ccccc1Br
InChIInChI=1S/C18H21BrFN/c1-2-10-21-13-15(17-8-3-4-9-18(17)19)11-14-6-5-7-16(20)12-14/h3-9,12,15,21H,2,10-11,13H2,1H3
InChIKeyAARYKTLICREMMC-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.91
Rot. Bonds7

About 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine

2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 79436436) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
PubChem CID79436436
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(F)c1)c1ccccc1Br
InChIInChI=1S/C18H21BrFN/c1-2-10-21-13-15(17-8-3-4-9-18(17)19)11-14-6-5-7-16(20)12-14/h3-9,12,15,21H,2,10-11,13H2,1H3
InChIKeyAARYKTLICREMMC-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
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

N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine (CID 79436436) is 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(F)c1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is AARYKTLICREMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-2-10-21-13-15(17-8-3-4-9-18(17)19)11-14-6-5-7-16(20)12-14/h3-9,12,15,21H,2,10-11,13H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine?
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79436436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).