4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine

C15H23NOS — CID 83196318

IUPAC4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1Cc1cccc(OC)c1
InChIInChI=1S/C15H23NOS/c1-3-7-16-15-11-18-10-13(15)8-12-5-4-6-14(9-12)17-2/h4-6,9,13,15-16H,3,7-8,10-11H2,1-2H3
InChIKeyDFBCGEXYBOUEEK-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.97
Rot. Bonds6

About 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine

4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine (PubChem CID 83196318) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
PubChem CID83196318
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1Cc1cccc(OC)c1
InChIInChI=1S/C15H23NOS/c1-3-7-16-15-11-18-10-13(15)8-12-5-4-6-14(9-12)17-2/h4-6,9,13,15-16H,3,7-8,10-11H2,1-2H3
InChIKeyDFBCGEXYBOUEEK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine (CID 83196318) is 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine is CCCNC1CSCC1Cc1cccc(OC)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine?
The InChIKey is DFBCGEXYBOUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-7-16-15-11-18-10-13(15)8-12-5-4-6-14(9-12)17-2/h4-6,9,13,15-16H,3,7-8,10-11H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine?
4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83196318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).