N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine

C17H29NOS — CID 107763020

IUPACN-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
SMILESCCCCCSCC(NCCC)c1ccccc1OC
InChIInChI=1S/C17H29NOS/c1-4-6-9-13-20-14-16(18-12-5-2)15-10-7-8-11-17(15)19-3/h7-8,10-11,16,18H,4-6,9,12-14H2,1-3H3
InChIKeyFLQXOODFUWUARN-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.66
Rot. Bonds11

About N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine

N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine (PubChem CID 107763020) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
PubChem CID107763020
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
SMILESCCCCCSCC(NCCC)c1ccccc1OC
InChIInChI=1S/C17H29NOS/c1-4-6-9-13-20-14-16(18-12-5-2)15-10-7-8-11-17(15)19-3/h7-8,10-11,16,18H,4-6,9,12-14H2,1-3H3
InChIKeyFLQXOODFUWUARN-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine 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

N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763360
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64612320
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967
N-[1-(2-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propan-1-amine
CID 104604633
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine (CID 107763020) is N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine is CCCCCSCC(NCCC)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine?
The InChIKey is FLQXOODFUWUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-6-9-13-20-14-16(18-12-5-2)15-10-7-8-11-17(15)19-3/h7-8,10-11,16,18H,4-6,9,12-14H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine?
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 107763020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).