2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H28BrNS — CID 64614545

IUPAC2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC)C(Sc2ccccc2Br)C1
InChIInChI=1S/C18H28BrNS/c1-5-18(2,3)13-10-11-15(20-4)17(12-13)21-16-9-7-6-8-14(16)19/h6-9,13,15,17,20H,5,10-12H2,1-4H3
InChIKeyLXGCRZGBFGINQL-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.73
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 64614545) has the molecular formula C18H28BrNS and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID64614545
Molecular FormulaC18H28BrNS
Molecular Weight370.40 g/mol
Exact Mass369.11
IUPAC Name2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC)C(Sc2ccccc2Br)C1
InChIInChI=1S/C18H28BrNS/c1-5-18(2,3)13-10-11-15(20-4)17(12-13)21-16-9-7-6-8-14(16)19/h6-9,13,15,17,20H,5,10-12H2,1-4H3
InChIKeyLXGCRZGBFGINQL-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(3-chlorophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64632525
N-methyl-4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 64648110
N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
CID 107763602
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905759
3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
2-(2-methoxyphenyl)sulfanyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64627123
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075
2-(2-bromophenyl)sulfanyl-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420456
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
N-ethyl-4-(2-methylbutan-2-yl)-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627642
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-tert-butyl-N-ethylcyclohexan-1-amine
CID 64631848

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 64614545) is 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NC)C(Sc2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is LXGCRZGBFGINQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNS/c1-5-18(2,3)13-10-11-15(20-4)17(12-13)21-16-9-7-6-8-14(16)19/h6-9,13,15,17,20H,5,10-12H2,1-4H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 370.40 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).