(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine

C16H13Cl2NOS — CID 107960554

IUPAC(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)sc2Cl)c2ccccc12
InChIInChI=1S/C16H13Cl2NOS/c1-20-13-7-6-11(9-4-2-3-5-10(9)13)15(19)12-8-14(17)21-16(12)18/h2-8,15H,19H2,1H3
InChIKeyQJQXDDQADIDTJS-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.26
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine (PubChem CID 107960554) has the molecular formula C16H13Cl2NOS and a molecular weight of 338.26 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
PubChem CID107960554
Molecular FormulaC16H13Cl2NOS
Molecular Weight338.26 g/mol
Exact Mass337.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)sc2Cl)c2ccccc12
InChIInChI=1S/C16H13Cl2NOS/c1-20-13-7-6-11(9-4-2-3-5-10(9)13)15(19)12-8-14(17)21-16(12)18/h2-8,15H,19H2,1H3
InChIKeyQJQXDDQADIDTJS-UHFFFAOYSA-N
XLogP5.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548
(2-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150768
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 79685763
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961378
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine (CID 107960554) is (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine is COc1ccc(C(N)c2cc(Cl)sc2Cl)c2ccccc12.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The InChIKey is QJQXDDQADIDTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS/c1-20-13-7-6-11(9-4-2-3-5-10(9)13)15(19)12-8-14(17)21-16(12)18/h2-8,15H,19H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine has a molecular weight of 338.26 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 107960554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).