2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine

C17H26BrNOS — CID 64651402

IUPAC2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1S(=O)c1ccccc1Br
InChIInChI=1S/C17H26BrNOS/c1-3-11-19-15-10-9-13(4-2)12-17(15)21(20)16-8-6-5-7-14(16)18/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyXSBXTASXZATSQP-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.50
Rot. Bonds6

About 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine

2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 64651402) has the molecular formula C17H26BrNOS and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID64651402
Molecular FormulaC17H26BrNOS
Molecular Weight372.37 g/mol
Exact Mass371.09
IUPAC Name2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1S(=O)c1ccccc1Br
InChIInChI=1S/C17H26BrNOS/c1-3-11-19-15-10-9-13(4-2)12-17(15)21(20)16-8-6-5-7-14(16)18/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyXSBXTASXZATSQP-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
4-ethyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64654145
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
4-ethyl-2-(2-fluorophenyl)sulfinylcyclohexan-1-amine
CID 64658139
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330
2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
CID 64651096

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine (CID 64651402) is 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1S(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is XSBXTASXZATSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNOS/c1-3-11-19-15-10-9-13(4-2)12-17(15)21(20)16-8-6-5-7-14(16)18/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine?
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 372.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64651402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).