N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine

C16H21NS — CID 43393768

IUPACN-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCCc1ccc(C(NCC)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-3-6-13-8-10-14(11-9-13)16(17-4-2)15-7-5-12-18-15/h5,7-12,16-17H,3-4,6H2,1-2H3
InChIKeyRZRUYXZDZDFNGI-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.40
Rot. Bonds6

About N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine

N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 43393768) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID43393768
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCCc1ccc(C(NCC)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-3-6-13-8-10-14(11-9-13)16(17-4-2)15-7-5-12-18-15/h5,7-12,16-17H,3-4,6H2,1-2H3
InChIKeyRZRUYXZDZDFNGI-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
CID 9136375
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136207
4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 9136177
N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114519196
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136221
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine (CID 43393768) is N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine is CCCc1ccc(C(NCC)c2cccs2)cc1.
What is the InChIKey of N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is RZRUYXZDZDFNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-6-13-8-10-14(11-9-13)16(17-4-2)15-7-5-12-18-15/h5,7-12,16-17H,3-4,6H2,1-2H3.
What are the key properties of N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine?
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43393768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).