2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine

C18H23NS — CID 115532049

IUPAC2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1ccc(CNC2c3ccccc3CCC2(C)C)s1
InChIInChI=1S/C18H23NS/c1-13-8-9-15(20-13)12-19-17-16-7-5-4-6-14(16)10-11-18(17,2)3/h4-9,17,19H,10-12H2,1-3H3
InChIKeyUPMMONKDUSYJGZ-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.86
Rot. Bonds3

About 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115532049) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115532049
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1ccc(CNC2c3ccccc3CCC2(C)C)s1
InChIInChI=1S/C18H23NS/c1-13-8-9-15(20-13)12-19-17-16-7-5-4-6-14(16)10-11-18(17,2)3/h4-9,17,19H,10-12H2,1-3H3
InChIKeyUPMMONKDUSYJGZ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532188
2,2-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532070
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one
CID 115532104
2,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532038
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115491538
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine (CID 115532049) is 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine is Cc1ccc(CNC2c3ccccc3CCC2(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is UPMMONKDUSYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-8-9-15(20-13)12-19-17-16-7-5-4-6-14(16)10-11-18(17,2)3/h4-9,17,19H,10-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115532049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).