1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine

C19H29NS — CID 79562228

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1ccc(C)cc1)CC1CC2CCC1C2
InChIInChI=1S/C19H29NS/c1-3-20-18(12-17-11-15-6-7-16(17)10-15)13-21-19-8-4-14(2)5-9-19/h4-5,8-9,15-18,20H,3,6-7,10-13H2,1-2H3
InChIKeyWVWZLOUPWCVJJT-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.89
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 79562228) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID79562228
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1ccc(C)cc1)CC1CC2CCC1C2
InChIInChI=1S/C19H29NS/c1-3-20-18(12-17-11-15-6-7-16(17)10-15)13-21-19-8-4-14(2)5-9-19/h4-5,8-9,15-18,20H,3,6-7,10-13H2,1-2H3
InChIKeyWVWZLOUPWCVJJT-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 ≤ 500303.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine with MolForge

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105236805
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79563380
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105012810
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 79562228) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine is CCNC(CSc1ccc(C)cc1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is WVWZLOUPWCVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-3-20-18(12-17-11-15-6-7-16(17)10-15)13-21-19-8-4-14(2)5-9-19/h4-5,8-9,15-18,20H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 303.51 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-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 79562228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).