N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine

C17H21NOS — CID 62936269

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine
SMILESc1ccc(OCCCNCc2cc3c(s2)CCC3)cc1
InChIInChI=1S/C17H21NOS/c1-2-7-15(8-3-1)19-11-5-10-18-13-16-12-14-6-4-9-17(14)20-16/h1-3,7-8,12,18H,4-6,9-11,13H2
InChIKeyMBBPCRBNZWTESQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.80
Rot. Bonds7

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine (PubChem CID 62936269) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine
PubChem CID62936269
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine
SMILESc1ccc(OCCCNCc2cc3c(s2)CCC3)cc1
InChIInChI=1S/C17H21NOS/c1-2-7-15(8-3-1)19-11-5-10-18-13-16-12-14-6-4-9-17(14)20-16/h1-3,7-8,12,18H,4-6,9-11,13H2
InChIKeyMBBPCRBNZWTESQ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenoxypropan-1-amine
CID 102835423
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940271
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
CID 54955987
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzonitrile
CID 61206641
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine (CID 62936269) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine is c1ccc(OCCCNCc2cc3c(s2)CCC3)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine?
The InChIKey is MBBPCRBNZWTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-7-15(8-3-1)19-11-5-10-18-13-16-12-14-6-4-9-17(14)20-16/h1-3,7-8,12,18H,4-6,9-11,13H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 62936269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).