1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine

C17H25NOS — CID 105188443

IUPAC1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H25NOS/c1-18-17(12-13-8-10-20-11-9-13)14-2-4-15(5-3-14)19-16-6-7-16/h2-5,13,16-18H,6-12H2,1H3
InChIKeyGHFAAUVIXIKMHN-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine

1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 105188443) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID105188443
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H25NOS/c1-18-17(12-13-8-10-20-11-9-13)14-2-4-15(5-3-14)19-16-6-7-16/h2-5,13,16-18H,6-12H2,1H3
InChIKeyGHFAAUVIXIKMHN-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine
CID 114519466
N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105188447
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105115477
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
2-[4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117384499
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine (CID 105188443) is 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is GHFAAUVIXIKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-18-17(12-13-8-10-20-11-9-13)14-2-4-15(5-3-14)19-16-6-7-16/h2-5,13,16-18H,6-12H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).