N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine

C16H21NOS — CID 63326619

IUPACN-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cccs2)c(CNC(C)C)c1
InChIInChI=1S/C16H21NOS/c1-12(2)17-10-14-9-13(3)6-7-16(14)18-11-15-5-4-8-19-15/h4-9,12,17H,10-11H2,1-3H3
InChIKeyPWZBMJSAHBQRHX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.13
Rot. Bonds6

About N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 63326619) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID63326619
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cccs2)c(CNC(C)C)c1
InChIInChI=1S/C16H21NOS/c1-12(2)17-10-14-9-13(3)6-7-16(14)18-11-15-5-4-8-19-15/h4-9,12,17H,10-11H2,1-3H3
InChIKeyPWZBMJSAHBQRHX-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60889783
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151007
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63326875
N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62484389
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 63326619) is N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine is Cc1ccc(OCc2cccs2)c(CNC(C)C)c1.
What is the InChIKey of N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is PWZBMJSAHBQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(2)17-10-14-9-13(3)6-7-16(14)18-11-15-5-4-8-19-15/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63326619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).