3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol

C17H23NO2S — CID 65185380

IUPAC3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2cc(C)ccc2OC)s1
InChIInChI=1S/C17H23NO2S/c1-4-12-6-8-16(21-12)17(19)14(10-18)13-9-11(2)5-7-15(13)20-3/h5-9,14,17,19H,4,10,18H2,1-3H3
InChIKeyLNXPGTCSAAZQNN-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.40
Rot. Bonds6

About 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol

3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 65185380) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
PubChem CID65185380
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2cc(C)ccc2OC)s1
InChIInChI=1S/C17H23NO2S/c1-4-12-6-8-16(21-12)17(19)14(10-18)13-9-11(2)5-7-15(13)20-3/h5-9,14,17,19H,4,10,18H2,1-3H3
InChIKeyLNXPGTCSAAZQNN-UHFFFAOYSA-N
XLogP3.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
3-amino-2-(2-methoxy-5-methylphenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65185382
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79086034
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol (CID 65185380) is 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol is CCc1ccc(C(O)C(CN)c2cc(C)ccc2OC)s1.
What is the InChIKey of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is LNXPGTCSAAZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-12-6-8-16(21-12)17(19)14(10-18)13-9-11(2)5-7-15(13)20-3/h5-9,14,17,19H,4,10,18H2,1-3H3.
What are the key properties of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 305.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 65185380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).