N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine

C16H21NOS — CID 43485510

IUPACN-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-11(2)18-14-7-5-13(6-8-14)15(17-4)16-12(3)9-10-19-16/h5-11,15,17H,1-4H3
InChIKeyIFFPQZWUMMXJMS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine

N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 43485510) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID43485510
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-11(2)18-14-7-5-13(6-8-14)15(17-4)16-12(3)9-10-19-16/h5-11,15,17H,1-4H3
InChIKeyIFFPQZWUMMXJMS-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390
N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 55006914
N-methyl-1-(4-methylsulfonylphenyl)-1-(3-methylthiophen-2-yl)methanamine
CID 55007057
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237954
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484975
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine (CID 43485510) is N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine is CNC(c1ccc(OC(C)C)cc1)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is IFFPQZWUMMXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)18-14-7-5-13(6-8-14)15(17-4)16-12(3)9-10-19-16/h5-11,15,17H,1-4H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 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-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 43485510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).