1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine

C15H21NOS — CID 103902552

IUPAC1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
SMILESC#CCSCCNC(CC)c1ccccc1OC
InChIInChI=1S/C15H21NOS/c1-4-11-18-12-10-16-14(5-2)13-8-6-7-9-15(13)17-3/h1,6-9,14,16H,5,10-12H2,2-3H3
InChIKeyODNGIKDIZUVERV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.10
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine

1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine (PubChem CID 103902552) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
PubChem CID103902552
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
SMILESC#CCSCCNC(CC)c1ccccc1OC
InChIInChI=1S/C15H21NOS/c1-4-11-18-12-10-16-14(5-2)13-8-6-7-9-15(13)17-3/h1,6-9,14,16H,5,10-12H2,2-3H3
InChIKeyODNGIKDIZUVERV-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(4-chlorophenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 113348660
1-(4-ethylphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 114187320
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
3-methyl-1-phenyl-N-(2-prop-2-ynylsulfanylethyl)butan-1-amine
CID 106426463
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
CID 63997272
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine (CID 103902552) is 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine is C#CCSCCNC(CC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
The InChIKey is ODNGIKDIZUVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-4-11-18-12-10-16-14(5-2)13-8-6-7-9-15(13)17-3/h1,6-9,14,16H,5,10-12H2,2-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 103902552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).