N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C16H21NOS — CID 61223007

IUPACN-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCCOc1ccc(CNC(C)Cc2ccsc2)cc1
InChIInChI=1S/C16H21NOS/c1-3-18-16-6-4-14(5-7-16)11-17-13(2)10-15-8-9-19-12-15/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyBKVGTDOHHFZSFR-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.87
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61223007) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61223007
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCCOc1ccc(CNC(C)Cc2ccsc2)cc1
InChIInChI=1S/C16H21NOS/c1-3-18-16-6-4-14(5-7-16)11-17-13(2)10-15-8-9-19-12-15/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyBKVGTDOHHFZSFR-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

2-ethoxy-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]phenol
CID 61223190
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
methyl 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzoate
CID 61473251
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222636
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine
CID 80739473
N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65323547
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 61223007) is N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is CCOc1ccc(CNC(C)Cc2ccsc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is BKVGTDOHHFZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-18-16-6-4-14(5-7-16)11-17-13(2)10-15-8-9-19-12-15/h4-9,12-13,17H,3,10-11H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-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-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61223007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).