2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine

C16H21NOS — CID 62514535

IUPAC2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC(Cc1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C16H21NOS/c1-17-12-14(11-16-4-3-9-19-16)10-13-5-7-15(18-2)8-6-13/h3-9,14,17H,10-12H2,1-2H3
InChIKeySFXKXLBSKVCSHM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.38
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine

2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 62514535) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID62514535
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC(Cc1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C16H21NOS/c1-17-12-14(11-16-4-3-9-19-16)10-13-5-7-15(18-2)8-6-13/h3-9,14,17H,10-12H2,1-2H3
InChIKeySFXKXLBSKVCSHM-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775752
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62718053
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 62514535) is 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCC(Cc1ccc(OC)cc1)Cc1cccs1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SFXKXLBSKVCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-17-12-14(11-16-4-3-9-19-16)10-13-5-7-15(18-2)8-6-13/h3-9,14,17H,10-12H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine?
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62514535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).