2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol

C18H23NOS — CID 80725546

IUPAC2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
SMILESCC(NCC1(C)CCCS1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NOS/c1-13(19-12-18(2)10-5-11-21-18)15-9-8-14-6-3-4-7-16(14)17(15)20/h3-4,6-9,13,19-20H,5,10-12H2,1-2H3
InChIKeyIVVKIAVJRFWVMX-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.48
Rot. Bonds4

About 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol

2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol (PubChem CID 80725546) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
PubChem CID80725546
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
SMILESCC(NCC1(C)CCCS1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NOS/c1-13(19-12-18(2)10-5-11-21-18)15-9-8-14-6-3-4-7-16(14)17(15)20/h3-4,6-9,13,19-20H,5,10-12H2,1-2H3
InChIKeyIVVKIAVJRFWVMX-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
CID 104584157
2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
CID 114750513
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 80726555
1-(2-chloro-4-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723574
3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 104583576
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725869
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
CID 80726953
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725439
N,N-dimethyl-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]aniline
CID 80725736

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol (CID 80725546) is 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol is CC(NCC1(C)CCCS1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol?
The InChIKey is IVVKIAVJRFWVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(19-12-18(2)10-5-11-21-18)15-9-8-14-6-3-4-7-16(14)17(15)20/h3-4,6-9,13,19-20H,5,10-12H2,1-2H3.
What are the key properties of 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol?
2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol has a molecular weight of 301.45 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 2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 80725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).