1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C18H23NOS — CID 103948401

IUPAC1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-18(20,14-21-2)13-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19-20H,13-14H2,1-2H3
InChIKeyPIBWYMREVNQHIR-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.48
Rot. Bonds7

About 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 103948401) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID103948401
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-18(20,14-21-2)13-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19-20H,13-14H2,1-2H3
InChIKeyPIBWYMREVNQHIR-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
1-[1-(4-tert-butylphenyl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103717064
2-methyl-1-[(2-methylsulfanyl-1-phenylethyl)amino]propan-2-ol
CID 111434426
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247006
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103950850
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 103948401) is 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is PIBWYMREVNQHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-18(20,14-21-2)13-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19-20H,13-14H2,1-2H3.
What are the key properties of 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 301.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103948401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).