[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine

C14H15F2NOS — CID 43322441

IUPAC[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2NOS/c1-2-11-7-8-12(19-11)13(17)9-3-5-10(6-4-9)18-14(15)16/h3-8,13-14H,2,17H2,1H3
InChIKeyQINCJGLLFKMEAO-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.96
Rot. Bonds5

About [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine

[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine (PubChem CID 43322441) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
PubChem CID43322441
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2NOS/c1-2-11-7-8-12(19-11)13(17)9-3-5-10(6-4-9)18-14(15)16/h3-8,13-14H,2,17H2,1H3
InChIKeyQINCJGLLFKMEAO-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine
CID 81157249
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine (CID 43322441) is [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is QINCJGLLFKMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-2-11-7-8-12(19-11)13(17)9-3-5-10(6-4-9)18-14(15)16/h3-8,13-14H,2,17H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine?
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 283.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 43322441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).