(2-propylsulfanylphenyl)methanamine

C10H15NS — CID 43528783

IUPAC(2-propylsulfanylphenyl)methanamine
SMILESCCCSc1ccccc1CN
InChIInChI=1S/C10H15NS/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7-8,11H2,1H3
InChIKeyXRASNNQAEZTAAZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.65
Rot. Bonds4

About (2-propylsulfanylphenyl)methanamine

(2-propylsulfanylphenyl)methanamine (PubChem CID 43528783) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2-propylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-propylsulfanylphenyl)methanamine
PubChem CID43528783
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2-propylsulfanylphenyl)methanamine
SMILESCCCSc1ccccc1CN
InChIInChI=1S/C10H15NS/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7-8,11H2,1H3
InChIKeyXRASNNQAEZTAAZ-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]sulfanylethanol
CID 63808391
ethane;2-propylsulfanylaniline
CID 143337712
(2-butan-2-ylsulfanylphenyl)methanamine
CID 43528764
2-propylsulfanylbenzaldehyde
CID 13357292
1-pentylsulfanyl-2-prop-2-enylbenzene
CID 91658124
[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol
CID 66590008
N-[(2-butylsulfanylphenyl)methyl]propan-2-amine
CID 63809951
1,2-bis(tricosylsulfanyl)benzene
CID 91011021
2-[2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807692
(3-bromo-4-propylsulfanylphenyl)methanamine
CID 82810290
(3-propylsulfanylpyridazin-4-yl)methanamine
CID 80514513
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262

Frequently Asked Questions

What is the IUPAC name of (2-propylsulfanylphenyl)methanamine?
The IUPAC name of (2-propylsulfanylphenyl)methanamine (CID 43528783) is (2-propylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-propylsulfanylphenyl)methanamine?
The canonical SMILES for (2-propylsulfanylphenyl)methanamine is CCCSc1ccccc1CN.
What is the InChIKey of (2-propylsulfanylphenyl)methanamine?
The InChIKey is XRASNNQAEZTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7-8,11H2,1H3.
What are the key properties of (2-propylsulfanylphenyl)methanamine?
(2-propylsulfanylphenyl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylsulfanylphenyl)methanamine is sourced from PubChem (CID 43528783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).