N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C15H21NO2 — CID 114240817

IUPACN,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOCC2C)Oc2ccccc21
InChIInChI=1S/C15H21NO2/c1-11-10-17-8-7-15(11)9-13(16-2)12-5-3-4-6-14(12)18-15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyNULMNNKAWABPAK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds1

About N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114240817) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound NameN,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114240817
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOCC2C)Oc2ccccc21
InChIInChI=1S/C15H21NO2/c1-11-10-17-8-7-15(11)9-13(16-2)12-5-3-4-6-14(12)18-15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyNULMNNKAWABPAK-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114711989
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711957
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114711592
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711614
7-methoxy-N,2'-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710927
3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875170
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
CID 114712083
4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]
CID 163386607
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161

Frequently Asked Questions

What is the IUPAC name of N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114240817) is N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CNC1CC2(CCOCC2C)Oc2ccccc21.
What is the InChIKey of N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is NULMNNKAWABPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-10-17-8-7-15(11)9-13(16-2)12-5-3-4-6-14(12)18-15/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114240817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).