N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine

C16H21NOS — CID 43432805

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(C)cc1CNC(C)Cc1cccs1
InChIInChI=1S/C16H21NOS/c1-12-6-7-16(18-3)14(9-12)11-17-13(2)10-15-5-4-8-19-15/h4-9,13,17H,10-11H2,1-3H3
InChIKeyPYHXEPALUGPOQU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.79
Rot. Bonds6

About N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43432805) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43432805
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(C)cc1CNC(C)Cc1cccs1
InChIInChI=1S/C16H21NOS/c1-12-6-7-16(18-3)14(9-12)11-17-13(2)10-15-5-4-8-19-15/h4-9,13,17H,10-11H2,1-3H3
InChIKeyPYHXEPALUGPOQU-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride
CID 24846487
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432802
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 82893826
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43432805) is N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine is COc1ccc(C)cc1CNC(C)Cc1cccs1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is PYHXEPALUGPOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-6-7-16(18-3)14(9-12)11-17-13(2)10-15-5-4-8-19-15/h4-9,13,17H,10-11H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43432805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).