N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine

C18H29NOS — CID 105171035

IUPACN-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1ccccc1OC(C)C
InChIInChI=1S/C18H29NOS/c1-4-19-17(13-15-9-11-21-12-10-15)16-7-5-6-8-18(16)20-14(2)3/h5-8,14-15,17,19H,4,9-13H2,1-3H3
InChIKeyHRIJOXPGUYHGIT-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.66
Rot. Bonds7

About N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine

N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine (PubChem CID 105171035) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
PubChem CID105171035
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1ccccc1OC(C)C
InChIInChI=1S/C18H29NOS/c1-4-19-17(13-15-9-11-21-12-10-15)16-7-5-6-8-18(16)20-14(2)3/h5-8,14-15,17,19H,4,9-13H2,1-3H3
InChIKeyHRIJOXPGUYHGIT-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
1-(2,3-dimethylphenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105140728
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105142551
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
N-ethyl-2-(thian-4-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105146575
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 105179151
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine (CID 105171035) is N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine is CCNC(CC1CCSCC1)c1ccccc1OC(C)C.
What is the InChIKey of N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine?
The InChIKey is HRIJOXPGUYHGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-4-19-17(13-15-9-11-21-12-10-15)16-7-5-6-8-18(16)20-14(2)3/h5-8,14-15,17,19H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine?
N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine has a molecular weight of 307.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105171035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).