2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine

C15H22BrNS — CID 64632990

IUPAC2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1cccc(Br)c1
InChIInChI=1S/C15H22BrNS/c1-3-17-14-8-7-11(2)9-15(14)18-13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyWLGMSACBIWNAQZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.71
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine

2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 64632990) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID64632990
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1cccc(Br)c1
InChIInChI=1S/C15H22BrNS/c1-3-17-14-8-7-11(2)9-15(14)18-13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyWLGMSACBIWNAQZ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906963
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
7-(3-bromophenyl)sulfanyl-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64632779
3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
CID 64723484
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862668
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756
N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
CID 64634362
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611550
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine (CID 64632990) is 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is WLGMSACBIWNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-3-17-14-8-7-11(2)9-15(14)18-13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine?
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64632990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).