(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine

C16H21NOS — CID 105035938

IUPAC(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(C)c(C)s1
InChIInChI=1S/C16H21NOS/c1-4-9-18-14-8-6-5-7-13(14)16(17)15-10-11(2)12(3)19-15/h5-8,10,16H,4,9,17H2,1-3H3
InChIKeyQNTXQMOHORLYEJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.20
Rot. Bonds5

About (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine

(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine (PubChem CID 105035938) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
PubChem CID105035938
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(C)c(C)s1
InChIInChI=1S/C16H21NOS/c1-4-9-18-14-8-6-5-7-13(14)16(17)15-10-11(2)12(3)19-15/h5-8,10,16H,4,9,17H2,1-3H3
InChIKeyQNTXQMOHORLYEJ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
[(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334423
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
CID 105035778

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine (CID 105035938) is (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1cc(C)c(C)s1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The InChIKey is QNTXQMOHORLYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-9-18-14-8-6-5-7-13(14)16(17)15-10-11(2)12(3)19-15/h5-8,10,16H,4,9,17H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).