3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine

C25H25NOS — CID 151174384

IUPAC3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
SMILESCC(NCCC(Oc1cccc2ccccc12)c1cccs1)c1ccccc1
InChIInChI=1S/C25H25NOS/c1-19(20-9-3-2-4-10-20)26-17-16-24(25-15-8-18-28-25)27-23-14-7-12-21-11-5-6-13-22(21)23/h2-15,18-19,24,26H,16-17H2,1H3
InChIKeyNCYRGXDQYUMWTK-UHFFFAOYSA-N
MW387.55 g/mol
LogP6.76
Rot. Bonds8

About 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine

3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 151174384) has the molecular formula C25H25NOS and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID151174384
Molecular FormulaC25H25NOS
Molecular Weight387.55 g/mol
Exact Mass387.17
IUPAC Name3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
SMILESCC(NCCC(Oc1cccc2ccccc12)c1cccs1)c1ccccc1
InChIInChI=1S/C25H25NOS/c1-19(20-9-3-2-4-10-20)26-17-16-24(25-15-8-18-28-25)27-23-14-7-12-21-11-5-6-13-22(21)23/h2-15,18-19,24,26H,16-17H2,1H3
InChIKeyNCYRGXDQYUMWTK-UHFFFAOYSA-N
XLogP6.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 57383548
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199
ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
CID 144673562
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
CID 158227741
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine (CID 151174384) is 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine is CC(NCCC(Oc1cccc2ccccc12)c1cccs1)c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is NCYRGXDQYUMWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NOS/c1-19(20-9-3-2-4-10-20)26-17-16-24(25-15-8-18-28-25)27-23-14-7-12-21-11-5-6-13-22(21)23/h2-15,18-19,24,26H,16-17H2,1H3.
What are the key properties of 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine?
3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 387.55 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 151174384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).