1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine

C18H29NOS — CID 105133671

IUPAC1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1)CC1CCSCC1
InChIInChI=1S/C18H29NOS/c1-3-9-19-17(12-15-7-10-21-11-8-15)13-16-5-4-6-18(14-16)20-2/h4-6,14-15,17,19H,3,7-13H2,1-2H3
InChIKeyMZKDZTKYGYHUDR-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.14
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine

1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105133671) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
PubChem CID105133671
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1)CC1CCSCC1
InChIInChI=1S/C18H29NOS/c1-3-9-19-17(12-15-7-10-21-11-8-15)13-16-5-4-6-18(14-16)20-2/h4-6,14-15,17,19H,3,7-13H2,1-2H3
InChIKeyMZKDZTKYGYHUDR-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-(3,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105412607
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine (CID 105133671) is 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine is CCCNC(Cc1cccc(OC)c1)CC1CCSCC1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is MZKDZTKYGYHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-3-9-19-17(12-15-7-10-21-11-8-15)13-16-5-4-6-18(14-16)20-2/h4-6,14-15,17,19H,3,7-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 307.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105133671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).