5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine

C16H27NOS — CID 55245786

IUPAC5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
SMILESCSc1ccc(OCCNC(C)CCC(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-13(2)5-6-14(3)17-11-12-18-15-7-9-16(19-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyFFWLCZNDZBMRAW-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.20
Rot. Bonds9

About 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine

5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine (PubChem CID 55245786) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
PubChem CID55245786
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
SMILESCSc1ccc(OCCNC(C)CCC(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-13(2)5-6-14(3)17-11-12-18-15-7-9-16(19-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyFFWLCZNDZBMRAW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
CID 63649726
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
N-(5-methylhexan-2-yl)-4-methylsulfanylaniline
CID 43110507
N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine
CID 63505607
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63515560
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
5-methyl-N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-2-amine
CID 62582877
3-[2-(5-methylhexan-2-ylamino)ethoxy]benzoic acid
CID 103252192
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine (CID 55245786) is 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine is CSc1ccc(OCCNC(C)CCC(C)C)cc1.
What is the InChIKey of 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine?
The InChIKey is FFWLCZNDZBMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-13(2)5-6-14(3)17-11-12-18-15-7-9-16(19-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine?
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-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 5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 55245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).