N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine

C16H21NOS — CID 115494944

IUPACN-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C16H21NOS/c1-3-17-13(2)10-14-4-6-16(7-5-14)18-11-15-8-9-19-12-15/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyNHMJOHVXEWOTHQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.87
Rot. Bonds7

About N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine

N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine (PubChem CID 115494944) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
PubChem CID115494944
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C16H21NOS/c1-3-17-13(2)10-14-4-6-16(7-5-14)18-11-15-8-9-19-12-15/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyNHMJOHVXEWOTHQ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494906
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494866
1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61223351
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine (CID 115494944) is N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine is CCNC(C)Cc1ccc(OCc2ccsc2)cc1.
What is the InChIKey of N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is NHMJOHVXEWOTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-17-13(2)10-14-4-6-16(7-5-14)18-11-15-8-9-19-12-15/h4-9,12-13,17H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine?
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115494944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).