1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride

C12H20ClNS — CID 86262911

IUPAC1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc(SC)cc1.Cl
InChIInChI=1S/C12H19NS.ClH/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10;/h6-9,12H,3-5,13H2,1-2H3;1H
InChIKeyCMMWRZUUUJZUKH-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride

1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride (PubChem CID 86262911) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
PubChem CID86262911
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc(SC)cc1.Cl
InChIInChI=1S/C12H19NS.ClH/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10;/h6-9,12H,3-5,13H2,1-2H3;1H
InChIKeyCMMWRZUUUJZUKH-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine;hydrochloride
CID 171207247
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine
CID 171226819
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride (CID 86262911) is 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride is CCCCC(N)c1ccc(SC)cc1.Cl.
What is the InChIKey of 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride?
The InChIKey is CMMWRZUUUJZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS.ClH/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10;/h6-9,12H,3-5,13H2,1-2H3;1H.
What are the key properties of 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride?
1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride has a molecular weight of 245.82 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 86262911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).