[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine

C12H18N2S — CID 116943422

IUPAC[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)C2(CN)CC2)cc1
InChIInChI=1S/C12H18N2S/c1-15-10-4-2-9(3-5-10)11(14)12(8-13)6-7-12/h2-5,11H,6-8,13-14H2,1H3
InChIKeyUOCNWUHHLZLMLY-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.15
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine (PubChem CID 116943422) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine
PubChem CID116943422
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)C2(CN)CC2)cc1
InChIInChI=1S/C12H18N2S/c1-15-10-4-2-9(3-5-10)11(14)12(8-13)6-7-12/h2-5,11H,6-8,13-14H2,1H3
InChIKeyUOCNWUHHLZLMLY-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
CID 116943456
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 116947074
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine (CID 116943422) is [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)C2(CN)CC2)cc1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine?
The InChIKey is UOCNWUHHLZLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-15-10-4-2-9(3-5-10)11(14)12(8-13)6-7-12/h2-5,11H,6-8,13-14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 116943422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).