4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol

C18H19NOS — CID 69256384

IUPAC4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol
SMILESCC(N)CC(c1cccs1)c1ccc(O)c2ccccc12
InChIInChI=1S/C18H19NOS/c1-12(19)11-16(18-7-4-10-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-10,12,16,20H,11,19H2,1H3
InChIKeyZJOCKUSOMJMVGE-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.48
Rot. Bonds4

About 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol

4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol (PubChem CID 69256384) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol
PubChem CID69256384
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol
SMILESCC(N)CC(c1cccs1)c1ccc(O)c2ccccc12
InChIInChI=1S/C18H19NOS/c1-12(19)11-16(18-7-4-10-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-10,12,16,20H,11,19H2,1H3
InChIKeyZJOCKUSOMJMVGE-UHFFFAOYSA-N
XLogP4.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
CID 168884973
1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
CID 171232072
2-methylpropane;naphthalene-1,4-diol
CID 144756444
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
4-(1-methoxyethyl)naphthalen-1-ol
CID 102547369
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
ethane;phenol;2-propan-2-ylthiophene
CID 161233504

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol?
The IUPAC name of 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol (CID 69256384) is 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol.
What is the SMILES notation for 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol?
The canonical SMILES for 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol is CC(N)CC(c1cccs1)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol?
The InChIKey is ZJOCKUSOMJMVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12(19)11-16(18-7-4-10-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-10,12,16,20H,11,19H2,1H3.
What are the key properties of 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol?
4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol has a molecular weight of 297.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-thiophen-2-ylbutyl)naphthalen-1-ol is sourced from PubChem (CID 69256384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).