2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol

C14H23NOS — CID 61048813

IUPAC2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(SC)cc1
InChIInChI=1S/C14H23NOS/c1-5-11(2)15-14(3,10-16)12-6-8-13(17-4)9-7-12/h6-9,11,15-16H,5,10H2,1-4H3
InChIKeyRGZCOTPLXDAZRQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.00
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol

2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol (PubChem CID 61048813) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
PubChem CID61048813
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(SC)cc1
InChIInChI=1S/C14H23NOS/c1-5-11(2)15-14(3,10-16)12-6-8-13(17-4)9-7-12/h6-9,11,15-16H,5,10H2,1-4H3
InChIKeyRGZCOTPLXDAZRQ-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
CID 61049008
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
2-(butan-2-ylamino)-2-pyridin-2-ylpropan-1-ol
CID 61049210
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61049185
2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61048191
2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 61048608
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
1-[(2S)-butan-2-yl]-3-(4-methylsulfanylphenyl)urea
CID 51945610
4-butan-2-yl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43230072
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 105057950
(1S,2S)-2-methyl-1-(4-methylsulfanylphenyl)-1-(1-phenylpropan-2-ylamino)propane-1,3-diol;hydrochloride
CID 70449518

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol (CID 61048813) is 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol is CCC(C)NC(C)(CO)c1ccc(SC)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol?
The InChIKey is RGZCOTPLXDAZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-11(2)15-14(3,10-16)12-6-8-13(17-4)9-7-12/h6-9,11,15-16H,5,10H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol?
2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 61048813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).