1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol

C17H23NO2S — CID 65185856

IUPAC1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
SMILESCOc1ccc(C(CN)C(O)CCCc2cccs2)cc1
InChIInChI=1S/C17H23NO2S/c1-20-14-9-7-13(8-10-14)16(12-18)17(19)6-2-4-15-5-3-11-21-15/h3,5,7-11,16-17,19H,2,4,6,12,18H2,1H3
InChIKeyYJPFUSAGBXNLCK-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.18
Rot. Bonds8

About 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol

1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol (PubChem CID 65185856) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
PubChem CID65185856
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
SMILESCOc1ccc(C(CN)C(O)CCCc2cccs2)cc1
InChIInChI=1S/C17H23NO2S/c1-20-14-9-7-13(8-10-14)16(12-18)17(19)6-2-4-15-5-3-11-21-15/h3,5,7-11,16-17,19H,2,4,6,12,18H2,1H3
InChIKeyYJPFUSAGBXNLCK-UHFFFAOYSA-N
XLogP3.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65188291
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 82793341
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
CID 110308820
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
CID 105178245
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
CID 134951408

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol (CID 65185856) is 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol is COc1ccc(C(CN)C(O)CCCc2cccs2)cc1.
What is the InChIKey of 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol?
The InChIKey is YJPFUSAGBXNLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-20-14-9-7-13(8-10-14)16(12-18)17(19)6-2-4-15-5-3-11-21-15/h3,5,7-11,16-17,19H,2,4,6,12,18H2,1H3.
What are the key properties of 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol?
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol has a molecular weight of 305.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 65185856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).