[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine

C13H18ClNS — CID 105424365

IUPAC[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
SMILESCC(C)Sc1ccc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C13H18ClNS/c1-9(2)16-12-4-3-10(7-11(12)14)13(8-15)5-6-13/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyRAMUJYRWGAVVNL-UHFFFAOYSA-N
MW255.81 g/mol
LogP3.83
Rot. Bonds4

About [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine

[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine (PubChem CID 105424365) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
PubChem CID105424365
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC Name[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
SMILESCC(C)Sc1ccc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C13H18ClNS/c1-9(2)16-12-4-3-10(7-11(12)14)13(8-15)5-6-13/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyRAMUJYRWGAVVNL-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine
CID 117388041
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
methyl 1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxylate
CID 105426605
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine (CID 105424365) is [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine is CC(C)Sc1ccc(C2(CN)CC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine?
The InChIKey is RAMUJYRWGAVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-9(2)16-12-4-3-10(7-11(12)14)13(8-15)5-6-13/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine?
[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine has a molecular weight of 255.81 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 105424365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).