N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C16H25NO — CID 113450019

IUPACN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCOC(C)(C)CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C16H25NO/c1-15(2)10-12-8-6-7-9-13(12)14(15)17-11-16(3,4)18-5/h6-9,14,17H,10-11H2,1-5H3
InChIKeyRIGHSAQRZZLHMV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 113450019) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID113450019
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCOC(C)(C)CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C16H25NO/c1-15(2)10-12-8-6-7-9-13(12)14(15)17-11-16(3,4)18-5/h6-9,14,17H,10-11H2,1-5H3
InChIKeyRIGHSAQRZZLHMV-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-dimethylpropanamide
CID 106274962
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821544
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821247
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814561
4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
CID 106245547
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82797013
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
CID 82821354

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 113450019) is N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is COC(C)(C)CNC1c2ccccc2CC1(C)C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is RIGHSAQRZZLHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)10-12-8-6-7-9-13(12)14(15)17-11-16(3,4)18-5/h6-9,14,17H,10-11H2,1-5H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 113450019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).