4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine

C18H23NS — CID 62841312

IUPAC4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC(NC1CCC(C)(C)c2ccccc21)c1ccsc1
InChIInChI=1S/C18H23NS/c1-13(14-9-11-20-12-14)19-17-8-10-18(2,3)16-7-5-4-6-15(16)17/h4-7,9,11-13,17,19H,8,10H2,1-3H3
InChIKeyUJEZXELABZPYFF-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.21
Rot. Bonds3

About 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 62841312) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID62841312
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC(NC1CCC(C)(C)c2ccccc21)c1ccsc1
InChIInChI=1S/C18H23NS/c1-13(14-9-11-20-12-14)19-17-8-10-18(2,3)16-7-5-4-6-15(16)17/h4-7,9,11-13,17,19H,8,10H2,1-3H3
InChIKeyUJEZXELABZPYFF-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 114985663
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
N-(1-thiophen-3-ylethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 62841161
4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63455822
N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147335
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901794
4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63453924
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
CID 78982946
3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
CID 62841675

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine (CID 62841312) is 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine is CC(NC1CCC(C)(C)c2ccccc21)c1ccsc1.
What is the InChIKey of 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is UJEZXELABZPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13(14-9-11-20-12-14)19-17-8-10-18(2,3)16-7-5-4-6-15(16)17/h4-7,9,11-13,17,19H,8,10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 62841312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).