2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine

C18H28BrNS — CID 64613092

IUPAC2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1Sc1ccccc1Br
InChIInChI=1S/C18H28BrNS/c1-4-11-20-16-10-9-14(13(2)3)12-18(16)21-17-8-6-5-7-15(17)19/h5-8,13-14,16,18,20H,4,9-12H2,1-3H3
InChIKeyAFWIGTKEGCVFAE-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.73
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 64613092) has the molecular formula C18H28BrNS and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID64613092
Molecular FormulaC18H28BrNS
Molecular Weight370.40 g/mol
Exact Mass369.11
IUPAC Name2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1Sc1ccccc1Br
InChIInChI=1S/C18H28BrNS/c1-4-11-20-16-10-9-14(13(2)3)12-18(16)21-17-8-6-5-7-15(17)19/h5-8,13-14,16,18,20H,4,9-12H2,1-3H3
InChIKeyAFWIGTKEGCVFAE-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
4-methyl-3-[5-propan-2-yl-2-(propylamino)cyclohexyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64634352
3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905759
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64614545
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64632318

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 64613092) is 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is AFWIGTKEGCVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNS/c1-4-11-20-16-10-9-14(13(2)3)12-18(16)21-17-8-6-5-7-15(17)19/h5-8,13-14,16,18,20H,4,9-12H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 370.40 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64613092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).