N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine

C16H27NOS — CID 83044384

IUPACN-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1ccc(SC)cc1
InChIInChI=1S/C16H27NOS/c1-5-6-15(12-17-11-13(2)3)18-14-7-9-16(19-4)10-8-14/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyLCZKGJVUDTVANT-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.20
Rot. Bonds9

About N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine

N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine (PubChem CID 83044384) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
PubChem CID83044384
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1ccc(SC)cc1
InChIInChI=1S/C16H27NOS/c1-5-6-15(12-17-11-13(2)3)18-14-7-9-16(19-4)10-8-14/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyLCZKGJVUDTVANT-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylsulfanylphenoxy)pentan-1-amine
CID 83044748
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
N-ethyl-2-(4-fluorophenoxy)pentan-1-amine
CID 83046488
2-(4-fluorophenoxy)-N-propylpentan-1-amine
CID 83045947
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
4-(4-methylsulfanylphenoxy)-N-propylpentan-1-amine
CID 63647563
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
2-(4-methylsulfanylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63648603
N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
CID 83046652
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine (CID 83044384) is N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine is CCCC(CNCC(C)C)Oc1ccc(SC)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine?
The InChIKey is LCZKGJVUDTVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-6-15(12-17-11-13(2)3)18-14-7-9-16(19-4)10-8-14/h7-10,13,15,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine?
N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine is sourced from PubChem (CID 83044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).