1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine

C14H21NS — CID 64626290

IUPAC1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)C1CC1
InChIInChI=1S/C14H21NS/c1-3-15-14(12-7-8-12)10-16-13-6-4-5-11(2)9-13/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3
InChIKeyVHKAKWXKVKSUKD-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.48
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine

1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 64626290) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
PubChem CID64626290
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)C1CC1
InChIInChI=1S/C14H21NS/c1-3-15-14(12-7-8-12)10-16-13-6-4-5-11(2)9-13/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3
InChIKeyVHKAKWXKVKSUKD-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66087010
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine (CID 64626290) is 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine is CCNC(CSc1cccc(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is VHKAKWXKVKSUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-3-15-14(12-7-8-12)10-16-13-6-4-5-11(2)9-13/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine?
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 64626290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).