N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine

C16H19NOS — CID 43182769

IUPACN-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC=CCOc1ccc(CNC(C)c2cccs2)cc1
InChIInChI=1S/C16H19NOS/c1-3-10-18-15-8-6-14(7-9-15)12-17-13(2)16-5-4-11-19-16/h3-9,11,13,17H,1,10,12H2,2H3
InChIKeyWNBKLGQALVQGOT-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.16
Rot. Bonds7

About N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine

N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43182769) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43182769
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC=CCOc1ccc(CNC(C)c2cccs2)cc1
InChIInChI=1S/C16H19NOS/c1-3-10-18-15-8-6-14(7-9-15)12-17-13(2)16-5-4-11-19-16/h3-9,11,13,17H,1,10,12H2,2H3
InChIKeyWNBKLGQALVQGOT-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28623629
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 29045722

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine (CID 43182769) is N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine is C=CCOc1ccc(CNC(C)c2cccs2)cc1.
What is the InChIKey of N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is WNBKLGQALVQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-10-18-15-8-6-14(7-9-15)12-17-13(2)16-5-4-11-19-16/h3-9,11,13,17H,1,10,12H2,2H3.
What are the key properties of N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 273.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43182769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).