2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol

C18H19NOS — CID 81389862

IUPAC2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
SMILESCC(N[C@H](C)c1cccs1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H19NOS/c1-12(19-13(2)17-8-5-11-21-17)15-10-9-14-6-3-4-7-16(14)18(15)20/h3-13,19-20H,1-2H3/t12?,13-/m1/s1
InChIKeyVZXXKQFQBKIVAN-ZGTCLIOFSA-N
MW297.42 g/mol
LogP5.02
Rot. Bonds4

About 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol

2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol (PubChem CID 81389862) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
PubChem CID81389862
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
SMILESCC(N[C@H](C)c1cccs1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H19NOS/c1-12(19-13(2)17-8-5-11-21-17)15-10-9-14-6-3-4-7-16(14)18(15)20/h3-13,19-20H,1-2H3/t12?,13-/m1/s1
InChIKeyVZXXKQFQBKIVAN-ZGTCLIOFSA-N
XLogP5.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
4-[1-(1-thiophen-2-ylethylamino)ethyl]benzene-1,3-diol
CID 43206010
1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
CID 28683496
3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
CID 107715315
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
2-[1-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]benzene-1,4-diol
CID 81399035

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol (CID 81389862) is 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol is CC(N[C@H](C)c1cccs1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol?
The InChIKey is VZXXKQFQBKIVAN-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12(19-13(2)17-8-5-11-21-17)15-10-9-14-6-3-4-7-16(14)18(15)20/h3-13,19-20H,1-2H3/t12?,13-/m1/s1.
What are the key properties of 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol?
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol has a molecular weight of 297.42 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 81389862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).