N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine

C15H24ClNS — CID 114064938

IUPACN-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(SC(C)(C)C)cc1Cl
InChIInChI=1S/C15H24ClNS/c1-11(2)9-17-10-12-6-7-13(8-14(12)16)18-15(3,4)5/h6-8,11,17H,9-10H2,1-5H3
InChIKeyKAVFQCNLKXMQJV-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.98
Rot. Bonds5

About N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine

N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114064938) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID114064938
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC NameN-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(SC(C)(C)C)cc1Cl
InChIInChI=1S/C15H24ClNS/c1-11(2)9-17-10-12-6-7-13(8-14(12)16)18-15(3,4)5/h6-8,11,17H,9-10H2,1-5H3
InChIKeyKAVFQCNLKXMQJV-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-tert-butylsulfanyl-3-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 114070241
N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]propan-1-amine
CID 63805372
N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63804492
N-[(2-chloro-4-methylphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 106863169
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
N-[(2-benzylsulfanyl-4-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 114863938
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140
1-(3,4-dichlorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317896
N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methylpropan-1-amine
CID 63807103
N-[[3-chloro-4-(3-methylbutylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107761895
3-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropane-1,2-diol
CID 114865025

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine (CID 114064938) is N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(SC(C)(C)C)cc1Cl.
What is the InChIKey of N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is KAVFQCNLKXMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-11(2)9-17-10-12-6-7-13(8-14(12)16)18-15(3,4)5/h6-8,11,17H,9-10H2,1-5H3.
What are the key properties of N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine?
N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 285.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114064938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).