1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine

C12H18N2S — CID 116947074

IUPAC1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
SMILESCCSc1ccc(C(N)C2(N)CC2)cc1
InChIInChI=1S/C12H18N2S/c1-2-15-10-5-3-9(4-6-10)11(13)12(14)7-8-12/h3-6,11H,2,7-8,13-14H2,1H3
InChIKeyHATAJGQJYQQENB-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.29
Rot. Bonds4

About 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine

1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine (PubChem CID 116947074) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
PubChem CID116947074
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
SMILESCCSc1ccc(C(N)C2(N)CC2)cc1
InChIInChI=1S/C12H18N2S/c1-2-15-10-5-3-9(4-6-10)11(13)12(14)7-8-12/h3-6,11H,2,7-8,13-14H2,1H3
InChIKeyHATAJGQJYQQENB-UHFFFAOYSA-N
XLogP2.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944096
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
2-[amino-(4-ethylsulfanylphenyl)methyl]butanoic acid
CID 116945100
(R)-(4-ethylsulfanylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191246
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine (CID 116947074) is 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine is CCSc1ccc(C(N)C2(N)CC2)cc1.
What is the InChIKey of 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is HATAJGQJYQQENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-15-10-5-3-9(4-6-10)11(13)12(14)7-8-12/h3-6,11H,2,7-8,13-14H2,1H3.
What are the key properties of 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine?
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 222.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116947074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).