[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine

C15H25NOS — CID 113385381

IUPAC[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine
SMILESCCSc1cccc(OCCCC(C)C)c1CN
InChIInChI=1S/C15H25NOS/c1-4-18-15-9-5-8-14(13(15)11-16)17-10-6-7-12(2)3/h5,8-9,12H,4,6-7,10-11,16H2,1-3H3
InChIKeyCOMDYSFYJHJBBM-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.07
Rot. Bonds8

About [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine

[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine (PubChem CID 113385381) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine
PubChem CID113385381
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine
SMILESCCSc1cccc(OCCCC(C)C)c1CN
InChIInChI=1S/C15H25NOS/c1-4-18-15-9-5-8-14(13(15)11-16)17-10-6-7-12(2)3/h5,8-9,12H,4,6-7,10-11,16H2,1-3H3
InChIKeyCOMDYSFYJHJBBM-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
CID 103282838
[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine
CID 104559840
[2-bromo-6-(4-methylpentoxy)phenyl]methanamine
CID 114879902
[2-ethylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596442
1-(4-methylpentoxy)naphthalene
CID 83168126
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine?
The IUPAC name of [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine (CID 113385381) is [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine.
What is the SMILES notation for [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine?
The canonical SMILES for [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine is CCSc1cccc(OCCCC(C)C)c1CN.
What is the InChIKey of [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine?
The InChIKey is COMDYSFYJHJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-18-15-9-5-8-14(13(15)11-16)17-10-6-7-12(2)3/h5,8-9,12H,4,6-7,10-11,16H2,1-3H3.
What are the key properties of [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine?
[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine is sourced from PubChem (CID 113385381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).