N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine

C15H23NOS — CID 80622143

IUPACN-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)C1CCCS1
InChIInChI=1S/C15H23NOS/c1-11(2)17-13-7-4-6-12(10-13)15(16-3)14-8-5-9-18-14/h4,6-7,10-11,14-16H,5,8-9H2,1-3H3
InChIKeyMFCQZYOEUMCZDG-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds5

About N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine

N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine (PubChem CID 80622143) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
PubChem CID80622143
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)C1CCCS1
InChIInChI=1S/C15H23NOS/c1-11(2)17-13-7-4-6-12(10-13)15(16-3)14-8-5-9-18-14/h4,6-7,10-11,14-16H,5,8-9H2,1-3H3
InChIKeyMFCQZYOEUMCZDG-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626476
N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 107190280
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
CID 114283109
(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
CID 80621973
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
[thian-2-yl-[3-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105255890
1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299540
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine (CID 80622143) is N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine is CNC(c1cccc(OC(C)C)c1)C1CCCS1.
What is the InChIKey of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine?
The InChIKey is MFCQZYOEUMCZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)17-13-7-4-6-12(10-13)15(16-3)14-8-5-9-18-14/h4,6-7,10-11,14-16H,5,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine?
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80622143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).