1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine

C17H26BrNOS — CID 66144092

IUPAC1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)CSc1ccccc1Br
InChIInChI=1S/C17H26BrNOS/c1-2-11-19-14(9-10-15-6-5-12-20-15)13-21-17-8-4-3-7-16(17)18/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3
InChIKeyAONXABAMZPEFLK-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.87
Rot. Bonds9

About 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine

1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine (PubChem CID 66144092) has the molecular formula C17H26BrNOS and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
PubChem CID66144092
Molecular FormulaC17H26BrNOS
Molecular Weight372.37 g/mol
Exact Mass371.09
IUPAC Name1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)CSc1ccccc1Br
InChIInChI=1S/C17H26BrNOS/c1-2-11-19-14(9-10-15-6-5-12-20-15)13-21-17-8-4-3-7-16(17)18/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3
InChIKeyAONXABAMZPEFLK-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
CID 66142536
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
1-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 105037671
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine (CID 66144092) is 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCO1)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The InChIKey is AONXABAMZPEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNOS/c1-2-11-19-14(9-10-15-6-5-12-20-15)13-21-17-8-4-3-7-16(17)18/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine has a molecular weight of 372.37 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 66144092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).