2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine

C16H21NOS — CID 833955

IUPAC2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccccc1OCc1cccs1
InChIInChI=1S/C16H21NOS/c1-16(2,3)17-11-13-7-4-5-9-15(13)18-12-14-8-6-10-19-14/h4-10,17H,11-12H2,1-3H3
InChIKeyDDRFQBUPPZHABX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 833955) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID833955
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccccc1OCc1cccs1
InChIInChI=1S/C16H21NOS/c1-16(2,3)17-11-13-7-4-5-9-15(13)18-12-14-8-6-10-19-14/h4-10,17H,11-12H2,1-3H3
InChIKeyDDRFQBUPPZHABX-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-(4-Bromothiophen-2-yl)-2-{[(2-phenoxyphenyl)methyl]amino}ethan-1-ol
CID 23647934
2-({[2-(2-Aminoethoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647937
1-(4-Bromothiophen-2-yl)-2-({[2-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethan-1-ol
CID 23647940
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647941
(3S)-3-(1-benzothiophen-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 9994801
2-(2-Methoxyphenyl)-1,3-thiazolidine
CID 218556
2-({[2-(4-Aminobutoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647957
(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10714695
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
(3R)-3-(1-benzothiophen-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 44395080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 833955) is 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1ccccc1OCc1cccs1.
What is the InChIKey of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is DDRFQBUPPZHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-16(2,3)17-11-13-7-4-5-9-15(13)18-12-14-8-6-10-19-14/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 833955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).