1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine

C19H31NS — CID 65144591

IUPAC1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H31NS/c1-4-20-18(14-21-19-8-6-5-7-9-19)13-17-11-10-15(2)16(3)12-17/h10-12,18-20H,4-9,13-14H2,1-3H3
InChIKeyDHDRFDCGKMDPQY-UHFFFAOYSA-N
MW305.53 g/mol
LogP4.89
Rot. Bonds7

About 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine

1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine (PubChem CID 65144591) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
PubChem CID65144591
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H31NS/c1-4-20-18(14-21-19-8-6-5-7-9-19)13-17-11-10-15(2)16(3)12-17/h10-12,18-20H,4-9,13-14H2,1-3H3
InChIKeyDHDRFDCGKMDPQY-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105227835
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine (CID 65144591) is 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine is CCNC(CSC1CCCCC1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
The InChIKey is DHDRFDCGKMDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-4-20-18(14-21-19-8-6-5-7-9-19)13-17-11-10-15(2)16(3)12-17/h10-12,18-20H,4-9,13-14H2,1-3H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine has a molecular weight of 305.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 65144591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).