4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol

C15H24BrNOS — CID 64820388

IUPAC4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNOS/c1-4-9-17-15(3,11-18)10-12(2)19-14-7-5-13(16)6-8-14/h5-8,12,17-18H,4,9-11H2,1-3H3
InChIKeyQCFAOQDDAWRGPB-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.07
Rot. Bonds8

About 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol

4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64820388) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64820388
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNOS/c1-4-9-17-15(3,11-18)10-12(2)19-14-7-5-13(16)6-8-14/h5-8,12,17-18H,4,9-11H2,1-3H3
InChIKeyQCFAOQDDAWRGPB-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoic acid
CID 64710033
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanenitrile
CID 64712096
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64807866
2-methyl-2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806828
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64821326
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821262
4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64819063
4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
CID 64806731
2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol (CID 64820388) is 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)Sc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is QCFAOQDDAWRGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-4-9-17-15(3,11-18)10-12(2)19-14-7-5-13(16)6-8-14/h5-8,12,17-18H,4,9-11H2,1-3H3.
What are the key properties of 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 346.33 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).