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

C23H33NO2S — CID 3706223

IUPACN-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccccc1C1(CCNC(C)c2cccs2)CCOC(C(C)C)C1
InChIInChI=1S/C23H33NO2S/c1-17(2)21-16-23(12-14-26-21,19-8-5-6-9-20(19)25-4)11-13-24-18(3)22-10-7-15-27-22/h5-10,15,17-18,21,24H,11-14,16H2,1-4H3
InChIKeyCEYBVEUXOMNZSU-UHFFFAOYSA-N
MW387.59 g/mol
LogP5.57
Rot. Bonds8

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

N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 3706223) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
PubChem CID3706223
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC NameN-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccccc1C1(CCNC(C)c2cccs2)CCOC(C(C)C)C1
InChIInChI=1S/C23H33NO2S/c1-17(2)21-16-23(12-14-26-21,19-8-5-6-9-20(19)25-4)11-13-24-18(3)22-10-7-15-27-22/h5-10,15,17-18,21,24H,11-14,16H2,1-4H3
InChIKeyCEYBVEUXOMNZSU-UHFFFAOYSA-N
XLogP5.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine with MolForge

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Related Compounds

[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
N-[2-(2-thienylmethoxy)benzyl]cyclohexanamine hydrochloride
CID 2942144
tert-Butyl-[2-(thiophen-2-ylmethoxy)-benzyl]-amine
CID 11957322
1-[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-[(4-methoxythiophen-3-yl)methyl]methanamine;hydrochloride
CID 137640272
1-[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-[(2-methoxythiophen-3-yl)methyl]methanamine;hydrochloride
CID 137642593
1-[(1S,2S)-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 137646603
1-[(1R,2R)-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 137653140
1-[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-[(3-methoxythiophen-2-yl)methyl]methanamine;hydrochloride
CID 137657310
4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2736769
2-Thenylamine, N-isopropyl-alpha-(m-methoxybenzyl)-, hydrochloride
CID 3062036
2-Thenylamine, N-ethyl-alpha-(p-methoxybenzyl)-, hydrochloride
CID 3062040
2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 833955

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine (CID 3706223) is N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine is COc1ccccc1C1(CCNC(C)c2cccs2)CCOC(C(C)C)C1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is CEYBVEUXOMNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-17(2)21-16-23(12-14-26-21,19-8-5-6-9-20(19)25-4)11-13-24-18(3)22-10-7-15-27-22/h5-10,15,17-18,21,24H,11-14,16H2,1-4H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 387.59 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 3706223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).