N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine

C15H25NOS — CID 122580335

IUPACN,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine
SMILESCCCCCSc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-4-5-6-13-18-15-9-7-14(8-10-15)17-12-11-16(2)3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyYNRCOHHXKGDZFL-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.91
Rot. Bonds9

About N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine

N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine (PubChem CID 122580335) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine
PubChem CID122580335
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine
SMILESCCCCCSc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-4-5-6-13-18-15-9-7-14(8-10-15)17-12-11-16(2)3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyYNRCOHHXKGDZFL-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecylsulfanyl-4-(4-pentoxyphenyl)benzene
CID 70387892
1-pentoxy-4-(4-undecylsulfanylphenyl)benzene
CID 70386945
1,4-dipentoxybenzene
CID 18314717
1-hexylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387626
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073821
1-dodecylsulfanyl-4-methylsulfanylbenzene
CID 146260586
1-hexylsulfanyl-4-[4-(4-hexylsulfanylphenyl)buta-1,3-diynyl]benzene
CID 177499514
1-(4,4-dimethylpentoxy)-4-propylsulfanylbenzene
CID 59154737

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine (CID 122580335) is N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine is CCCCCSc1ccc(OCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine?
The InChIKey is YNRCOHHXKGDZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-5-6-13-18-15-9-7-14(8-10-15)17-12-11-16(2)3/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine?
N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-pentylsulfanylphenoxy)ethanamine is sourced from PubChem (CID 122580335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).