1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine

C16H21NOS — CID 60880329

IUPAC1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCCc1ccc(COc2ccc(C(N)CC)cc2)s1
InChIInChI=1S/C16H21NOS/c1-3-14-9-10-15(19-14)11-18-13-7-5-12(6-8-13)16(17)4-2/h5-10,16H,3-4,11,17H2,1-2H3
InChIKeyDFGNVTZTJXWOLF-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.30
Rot. Bonds6

About 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine

1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 60880329) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID60880329
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCCc1ccc(COc2ccc(C(N)CC)cc2)s1
InChIInChI=1S/C16H21NOS/c1-3-14-9-10-15(19-14)11-18-13-7-5-12(6-8-13)16(17)4-2/h5-10,16H,3-4,11,17H2,1-2H3
InChIKeyDFGNVTZTJXWOLF-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937135
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 78937022
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine (CID 60880329) is 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine is CCc1ccc(COc2ccc(C(N)CC)cc2)s1.
What is the InChIKey of 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is DFGNVTZTJXWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-14-9-10-15(19-14)11-18-13-7-5-12(6-8-13)16(17)4-2/h5-10,16H,3-4,11,17H2,1-2H3.
What are the key properties of 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine?
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 60880329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).