N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine

C16H21NOS — CID 62920874

IUPACN-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCCOc1cccc(C(NCC)c2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-3-10-18-14-8-5-7-13(12-14)16(17-4-2)15-9-6-11-19-15/h5-9,11-12,16-17H,3-4,10H2,1-2H3
InChIKeyZJDWQQPWAGGWBO-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine

N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 62920874) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID62920874
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCCOc1cccc(C(NCC)c2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-3-10-18-14-8-5-7-13(12-14)16(17-4-2)15-9-6-11-19-15/h5-9,11-12,16-17H,3-4,10H2,1-2H3
InChIKeyZJDWQQPWAGGWBO-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 43490532
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(5-chloro-4-methylthiophen-2-yl)-(3-propoxyphenyl)methyl]ethanamine
CID 102763929
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
[(5-propoxy-3-pyridinyl)-thiophen-2-ylmethyl]hydrazine
CID 105193764
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65146129
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 104658274
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine (CID 62920874) is N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine is CCCOc1cccc(C(NCC)c2cccs2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is ZJDWQQPWAGGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-10-18-14-8-5-7-13(12-14)16(17-4-2)15-9-6-11-19-15/h5-9,11-12,16-17H,3-4,10H2,1-2H3.
What are the key properties of N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine?
N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 62920874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).