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

C18H25NS — CID 43287695

IUPACN-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccccc2C(C)C)s1
InChIInChI=1S/C18H25NS/c1-5-12-19-14(4)17-10-11-18(20-17)16-9-7-6-8-15(16)13(2)3/h6-11,13-14,19H,5,12H2,1-4H3
InChIKeyHREAWMKDFGRLLE-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.60
Rot. Bonds6

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

N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine (PubChem CID 43287695) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
PubChem CID43287695
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccccc2C(C)C)s1
InChIInChI=1S/C18H25NS/c1-5-12-19-14(4)17-10-11-18(20-17)16-9-7-6-8-15(16)13(2)3/h6-11,13-14,19H,5,12H2,1-4H3
InChIKeyHREAWMKDFGRLLE-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
CID 43287447
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine (CID 43287695) is N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2ccccc2C(C)C)s1.
What is the InChIKey of N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
The InChIKey is HREAWMKDFGRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-12-19-14(4)17-10-11-18(20-17)16-9-7-6-8-15(16)13(2)3/h6-11,13-14,19H,5,12H2,1-4H3.
What are the key properties of N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 43287695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).