3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine

C18H25NS — CID 63843620

IUPAC3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H25NS/c1-4-15(5-2)14(3)19-13-17-11-12-18(20-17)16-9-7-6-8-10-16/h6-12,14-15,19H,4-5,13H2,1-3H3
InChIKeyWJHHGWDQXLBCLX-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.33
Rot. Bonds7

About 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine

3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine (PubChem CID 63843620) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
PubChem CID63843620
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H25NS/c1-4-15(5-2)14(3)19-13-17-11-12-18(20-17)16-9-7-6-8-10-16/h6-12,14-15,19H,4-5,13H2,1-3H3
InChIKeyWJHHGWDQXLBCLX-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
CID 59978709
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine (CID 63843620) is 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine is CCC(CC)C(C)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine?
The InChIKey is WJHHGWDQXLBCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-15(5-2)14(3)19-13-17-11-12-18(20-17)16-9-7-6-8-10-16/h6-12,14-15,19H,4-5,13H2,1-3H3.
What are the key properties of 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine?
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine has a molecular weight of 287.47 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 63843620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).