(2-tert-butylsulfanyl-5-chlorophenyl)methanamine

C11H16ClNS — CID 62493862

IUPAC(2-tert-butylsulfanyl-5-chlorophenyl)methanamine
SMILESCC(C)(C)Sc1ccc(Cl)cc1CN
InChIInChI=1S/C11H16ClNS/c1-11(2,3)14-10-5-4-9(12)6-8(10)7-13/h4-6H,7,13H2,1-3H3
InChIKeyZHSLKTCCSPZDDV-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.69
Rot. Bonds2

About (2-tert-butylsulfanyl-5-chlorophenyl)methanamine

(2-tert-butylsulfanyl-5-chlorophenyl)methanamine (PubChem CID 62493862) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is (2-tert-butylsulfanyl-5-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylsulfanyl-5-chlorophenyl)methanamine
PubChem CID62493862
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name(2-tert-butylsulfanyl-5-chlorophenyl)methanamine
SMILESCC(C)(C)Sc1ccc(Cl)cc1CN
InChIInChI=1S/C11H16ClNS/c1-11(2,3)14-10-5-4-9(12)6-8(10)7-13/h4-6H,7,13H2,1-3H3
InChIKeyZHSLKTCCSPZDDV-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
CID 66878534
3-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114864970
[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 62495057
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
5-chloro-2-fluorobenzonitrile;5-chloro-2-methylsulfanylbenzonitrile;(5-chloro-2-methylsulfanylphenyl)methanamine
CID 160967991
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylsulfanyl-5-chlorophenyl)methanamine?
The IUPAC name of (2-tert-butylsulfanyl-5-chlorophenyl)methanamine (CID 62493862) is (2-tert-butylsulfanyl-5-chlorophenyl)methanamine.
What is the SMILES notation for (2-tert-butylsulfanyl-5-chlorophenyl)methanamine?
The canonical SMILES for (2-tert-butylsulfanyl-5-chlorophenyl)methanamine is CC(C)(C)Sc1ccc(Cl)cc1CN.
What is the InChIKey of (2-tert-butylsulfanyl-5-chlorophenyl)methanamine?
The InChIKey is ZHSLKTCCSPZDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-11(2,3)14-10-5-4-9(12)6-8(10)7-13/h4-6H,7,13H2,1-3H3.
What are the key properties of (2-tert-butylsulfanyl-5-chlorophenyl)methanamine?
(2-tert-butylsulfanyl-5-chlorophenyl)methanamine has a molecular weight of 229.78 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfanyl-5-chlorophenyl)methanamine is sourced from PubChem (CID 62493862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).