N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

C16H25NO2 — CID 115728687

IUPACN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCOC(C)(C)CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H25NO2/c1-15(2)10-13(17-11-16(3,4)18-5)12-8-6-7-9-14(12)19-15/h6-9,13,17H,10-11H2,1-5H3
InChIKeyXPHKDKMSTFAZGF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 115728687) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID115728687
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCOC(C)(C)CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H25NO2/c1-15(2)10-13(17-11-16(3,4)18-5)12-8-6-7-9-14(12)19-15/h6-9,13,17H,10-11H2,1-5H3
InChIKeyXPHKDKMSTFAZGF-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine
CID 80710353
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 115728687) is N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is COC(C)(C)CNC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is XPHKDKMSTFAZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)10-13(17-11-16(3,4)18-5)12-8-6-7-9-14(12)19-15/h6-9,13,17H,10-11H2,1-5H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 115728687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).