N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

C15H21BrFN — CID 65419774

IUPACN-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Br)C1CC1C
InChIInChI=1S/C15H21BrFN/c1-3-6-18-15(13-7-10(13)2)9-11-8-12(17)4-5-14(11)16/h4-5,8,10,13,15,18H,3,6-7,9H2,1-2H3
InChIKeyAYOLSPCJRLSGBU-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (PubChem CID 65419774) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
PubChem CID65419774
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Br)C1CC1C
InChIInChI=1S/C15H21BrFN/c1-3-6-18-15(13-7-10(13)2)9-11-8-12(17)4-5-14(11)16/h4-5,8,10,13,15,18H,3,6-7,9H2,1-2H3
InChIKeyAYOLSPCJRLSGBU-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61064174
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 54891354
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107188252
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 62605292
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387292
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798000
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (CID 65419774) is N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1Br)C1CC1C.
What is the InChIKey of N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is AYOLSPCJRLSGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-3-6-18-15(13-7-10(13)2)9-11-8-12(17)4-5-14(11)16/h4-5,8,10,13,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 65419774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).