1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine

C14H21BrFNS — CID 79709055

IUPAC1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCCNC(CSC(C)C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H21BrFNS/c1-4-17-14(9-18-10(2)3)7-11-5-12(15)8-13(16)6-11/h5-6,8,10,14,17H,4,7,9H2,1-3H3
InChIKeyYZOHKVKYSMMATR-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.25
Rot. Bonds7

About 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 79709055) has the molecular formula C14H21BrFNS and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID79709055
Molecular FormulaC14H21BrFNS
Molecular Weight334.30 g/mol
Exact Mass333.06
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCCNC(CSC(C)C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H21BrFNS/c1-4-17-14(9-18-10(2)3)7-11-5-12(15)8-13(16)6-11/h5-6,8,10,14,17H,4,7,9H2,1-3H3
InChIKeyYZOHKVKYSMMATR-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 79709297
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132239
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 79709200
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine (CID 79709055) is 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine is CCNC(CSC(C)C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is YZOHKVKYSMMATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNS/c1-4-17-14(9-18-10(2)3)7-11-5-12(15)8-13(16)6-11/h5-6,8,10,14,17H,4,7,9H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 334.30 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 79709055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).