1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine

C17H19BrFNS — CID 66071258

IUPAC1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrFNS/c1-2-20-16(10-13-5-3-6-14(18)9-13)12-21-17-8-4-7-15(19)11-17/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyMAKNXAWSENGTOK-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.90
Rot. Bonds7

About 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine

1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 66071258) has the molecular formula C17H19BrFNS and a molecular weight of 368.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
PubChem CID66071258
Molecular FormulaC17H19BrFNS
Molecular Weight368.32 g/mol
Exact Mass367.04
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrFNS/c1-2-20-16(10-13-5-3-6-14(18)9-13)12-21-17-8-4-7-15(19)11-17/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyMAKNXAWSENGTOK-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66070234
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine (CID 66071258) is 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine is CCNC(CSc1cccc(F)c1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is MAKNXAWSENGTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNS/c1-2-20-16(10-13-5-3-6-14(18)9-13)12-21-17-8-4-7-15(19)11-17/h3-9,11,16,20H,2,10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine?
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 368.32 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66071258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).