N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine

C16H20ClNOS — CID 63400734

IUPACN-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc(OC)ccc2Cl)s1
InChIInChI=1S/C16H20ClNOS/c1-4-9-18-11(2)15-7-8-16(20-15)13-10-12(19-3)5-6-14(13)17/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeySFWUITPUZIIDQW-UHFFFAOYSA-N
MW309.86 g/mol
LogP5.14
Rot. Bonds6

About N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine

N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine (PubChem CID 63400734) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
PubChem CID63400734
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc(OC)ccc2Cl)s1
InChIInChI=1S/C16H20ClNOS/c1-4-9-18-11(2)15-7-8-16(20-15)13-10-12(19-3)5-6-14(13)17/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeySFWUITPUZIIDQW-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43287695
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 107530688
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
CID 43288121
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine (CID 63400734) is N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cc(OC)ccc2Cl)s1.
What is the InChIKey of N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The InChIKey is SFWUITPUZIIDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-4-9-18-11(2)15-7-8-16(20-15)13-10-12(19-3)5-6-14(13)17/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine has a molecular weight of 309.86 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63400734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).