2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine

C15H24ClNOS — CID 103289869

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)SCc1ccccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-3-18-10-6-9-17-11-13(2)19-12-14-7-4-5-8-15(14)16/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3
InChIKeyFLUDHQONOUNNDL-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.98
Rot. Bonds10

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine

2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 103289869) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine
PubChem CID103289869
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)SCc1ccccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-3-18-10-6-9-17-11-13(2)19-12-14-7-4-5-8-15(14)16/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3
InChIKeyFLUDHQONOUNNDL-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 53.98
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-(3-ethoxypropyl)-2-[(2-methylphenyl)methylsulfanyl]propan-1-amine
CID 62770036
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
1-[(2-chlorophenyl)methyl]-3-(3-ethoxypropyl)thiourea
CID 113218362
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
2-N-[(2-bromophenyl)methyl]-1-N-(3-ethoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62567995
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
3-[(2-chlorophenyl)methylsulfanyl]butanenitrile
CID 103288480
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
N-[(5-bromo-2-chlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 115731964
N-(3-ethoxypropyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 55092498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine (CID 103289869) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is FLUDHQONOUNNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-18-10-6-9-17-11-13(2)19-12-14-7-4-5-8-15(14)16/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine?
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 301.88 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 103289869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).