1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine

C18H23NS — CID 65142021

IUPAC1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CSc2ccccc2)c(C)c1
InChIInChI=1S/C18H23NS/c1-13-9-14(2)18(15(3)10-13)11-16(19)12-20-17-7-5-4-6-8-17/h4-10,16H,11-12,19H2,1-3H3
InChIKeyGFYALCAUEKEJOR-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.27
Rot. Bonds5

About 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine

1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 65142021) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID65142021
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CSc2ccccc2)c(C)c1
InChIInChI=1S/C18H23NS/c1-13-9-14(2)18(15(3)10-13)11-16(19)12-20-17-7-5-4-6-8-17/h4-10,16H,11-12,19H2,1-3H3
InChIKeyGFYALCAUEKEJOR-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylsulfanylbutan-2-amine
CID 24973194
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
5-phenyl-1-phenylsulfanylpentan-2-amine
CID 65141833
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1,2,3,4,5-pentafluoro-6-[(1R)-2-phenylsulfanyl-1-(2,4,6-trimethylphenyl)ethyl]benzene
CID 10982736
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121218
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
N-methylmethanamine;4-phenylsulfanylbutane-1,3-diamine
CID 66723752
(3R)-1-N,1-N-dimethyl-4-phenylsulfanylbutane-1,3-diamine
CID 58080194

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 65142021) is 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)CSc2ccccc2)c(C)c1.
What is the InChIKey of 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is GFYALCAUEKEJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-9-14(2)18(15(3)10-13)11-16(19)12-20-17-7-5-4-6-8-17/h4-10,16H,11-12,19H2,1-3H3.
What are the key properties of 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 285.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 65142021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).