N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

C17H23NO2S — CID 105018408

IUPACN-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(C)C)c1sccc1OC
InChIInChI=1S/C17H23NO2S/c1-5-18-16(17-15(19-4)10-11-21-17)13-8-6-7-9-14(13)20-12(2)3/h6-12,16,18H,5H2,1-4H3
InChIKeyADSHHCSPFTYFPW-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 105018408) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID105018408
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(C)C)c1sccc1OC
InChIInChI=1S/C17H23NO2S/c1-5-18-16(17-15(19-4)10-11-21-17)13-8-6-7-9-14(13)20-12(2)3/h6-12,16,18H,5H2,1-4H3
InChIKeyADSHHCSPFTYFPW-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115851457
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[isoquinolin-4-yl-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115856366
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
N-[(4-fluoro-2-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115852574
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105170940
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692741
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 105018408) is N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccccc1OC(C)C)c1sccc1OC.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is ADSHHCSPFTYFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-5-18-16(17-15(19-4)10-11-21-17)13-8-6-7-9-14(13)20-12(2)3/h6-12,16,18H,5H2,1-4H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105018408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).