(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride

C10H15Cl2NS — CID 66878534

IUPAC(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
SMILESCC(C)Sc1ccc(Cl)cc1CN.Cl
InChIInChI=1S/C10H14ClNS.ClH/c1-7(2)13-10-4-3-9(11)5-8(10)6-12;/h3-5,7H,6,12H2,1-2H3;1H
InChIKeyMBDCKKPETBDXGF-UHFFFAOYSA-N
MW252.21 g/mol
LogP3.72
Rot. Bonds3

About (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride

(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride (PubChem CID 66878534) has the molecular formula C10H15Cl2NS and a molecular weight of 252.21 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
PubChem CID66878534
Molecular FormulaC10H15Cl2NS
Molecular Weight252.21 g/mol
Exact Mass251.03
IUPAC Name(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
SMILESCC(C)Sc1ccc(Cl)cc1CN.Cl
InChIInChI=1S/C10H14ClNS.ClH/c1-7(2)13-10-4-3-9(11)5-8(10)6-12;/h3-5,7H,6,12H2,1-2H3;1H
InChIKeyMBDCKKPETBDXGF-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
CID 63673498
(2-tert-butylsulfanyl-5-chlorophenyl)methanamine
CID 62493862
3-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114864970
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 62495057
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
CID 82264840
3-[2-(aminomethyl)-5-chlorophenyl]sulfanylbutan-1-ol
CID 114864987

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride (CID 66878534) is (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride is CC(C)Sc1ccc(Cl)cc1CN.Cl.
What is the InChIKey of (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride?
The InChIKey is MBDCKKPETBDXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS.ClH/c1-7(2)13-10-4-3-9(11)5-8(10)6-12;/h3-5,7H,6,12H2,1-2H3;1H.
What are the key properties of (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride?
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride has a molecular weight of 252.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 66878534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).