1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

C15H15Cl2NOS — CID 107969270

IUPAC1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl2NOS/c1-18-14(12-8-13(16)20-15(12)17)9-2-4-10(5-3-9)19-11-6-7-11/h2-5,8,11,14,18H,6-7H2,1H3
InChIKeyGYKFELUYOILIRR-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.90
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 107969270) has the molecular formula C15H15Cl2NOS and a molecular weight of 328.26 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID107969270
Molecular FormulaC15H15Cl2NOS
Molecular Weight328.26 g/mol
Exact Mass327.03
IUPAC Name1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl2NOS/c1-18-14(12-8-13(16)20-15(12)17)9-2-4-10(5-3-9)19-11-6-7-11/h2-5,8,11,14,18H,6-7H2,1H3
InChIKeyGYKFELUYOILIRR-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107969275
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
1-(3-bromo-4-ethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961340
1-(4-cyclopropyloxyphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105051420
1-(5-chloro-2-pyridinyl)-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519640
1-(2,5-dichlorothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 107968897
1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486861
1-(2,5-dichlorothiophen-3-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43486794
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43486821
[(4-chloro-3-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
CID 105340975
1-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 107969270) is 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNC(c1ccc(OC2CC2)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is GYKFELUYOILIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NOS/c1-18-14(12-8-13(16)20-15(12)17)9-2-4-10(5-3-9)19-11-6-7-11/h2-5,8,11,14,18H,6-7H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 328.26 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107969270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).