N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine

C23H33NOS — CID 2965335

IUPACN-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(C2(CCNC(C)c3cccs3)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C23H33NOS/c1-17(2)21-16-23(12-14-25-21,20-9-7-18(3)8-10-20)11-13-24-19(4)22-6-5-15-26-22/h5-10,15,17,19,21,24H,11-14,16H2,1-4H3
InChIKeyCGUCFXKLVWDOLG-UHFFFAOYSA-N
MW371.59 g/mol
LogP5.87
Rot. Bonds7

About N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine

N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 2965335) has the molecular formula C23H33NOS and a molecular weight of 371.59 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
PubChem CID2965335
Molecular FormulaC23H33NOS
Molecular Weight371.59 g/mol
Exact Mass371.23
IUPAC NameN-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(C2(CCNC(C)c3cccs3)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C23H33NOS/c1-17(2)21-16-23(12-14-25-21,20-9-7-18(3)8-10-20)11-13-24-19(4)22-6-5-15-26-22/h5-10,15,17,19,21,24H,11-14,16H2,1-4H3
InChIKeyCGUCFXKLVWDOLG-UHFFFAOYSA-N
XLogP5.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.59
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine (CID 2965335) is N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine is Cc1ccc(C2(CCNC(C)c3cccs3)CCOC(C(C)C)C2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is CGUCFXKLVWDOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NOS/c1-17(2)21-16-23(12-14-25-21,20-9-7-18(3)8-10-20)11-13-24-19(4)22-6-5-15-26-22/h5-10,15,17,19,21,24H,11-14,16H2,1-4H3.
What are the key properties of N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 371.59 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 2965335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).