1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine

C15H24ClNS — CID 107762391

IUPAC1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1SC(C)C(C)C
InChIInChI=1S/C15H24ClNS/c1-5-14(17)8-12-6-7-13(16)9-15(12)18-11(4)10(2)3/h6-7,9-11,14H,5,8,17H2,1-4H3
InChIKeyKFUFMBIPICHCPA-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine

1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine (PubChem CID 107762391) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine
PubChem CID107762391
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1SC(C)C(C)C
InChIInChI=1S/C15H24ClNS/c1-5-14(17)8-12-6-7-13(16)9-15(12)18-11(4)10(2)3/h6-7,9-11,14H,5,8,17H2,1-4H3
InChIKeyKFUFMBIPICHCPA-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866455
1-[2-(4-bromophenyl)sulfanyl-4-chlorophenyl]butan-2-amine
CID 114866171
1-(2-benzylsulfanyl-4-chlorophenyl)butan-2-amine
CID 114865854
1-[2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 63817901
1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114865883
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
CID 114866429
1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine
CID 106927175
1-[4-chloro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]butan-2-amine
CID 114866413
N-[[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 107761637
2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 114861047
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine (CID 107762391) is 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine is CCC(N)Cc1ccc(Cl)cc1SC(C)C(C)C.
What is the InChIKey of 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine?
The InChIKey is KFUFMBIPICHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-5-14(17)8-12-6-7-13(16)9-15(12)18-11(4)10(2)3/h6-7,9-11,14H,5,8,17H2,1-4H3.
What are the key properties of 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine?
1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine has a molecular weight of 285.88 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine is sourced from PubChem (CID 107762391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).