N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine

C16H19NO2 — CID 81480683

IUPACN-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
SMILESCONC1CC(C)(C)Oc2c1ccc1ccccc21
InChIInChI=1S/C16H19NO2/c1-16(2)10-14(17-18-3)13-9-8-11-6-4-5-7-12(11)15(13)19-16/h4-9,14,17H,10H2,1-3H3
InChIKeyLUBFCXRJTBMZSC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.59
Rot. Bonds2

About N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine

N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine (PubChem CID 81480683) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine.

Molecular Properties

Compound NameN-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
PubChem CID81480683
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
SMILESCONC1CC(C)(C)Oc2c1ccc1ccccc21
InChIInChI=1S/C16H19NO2/c1-16(2)10-14(17-18-3)13-9-8-11-6-4-5-7-12(11)15(13)19-16/h4-9,14,17H,10H2,1-3H3
InChIKeyLUBFCXRJTBMZSC-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine?
The IUPAC name of N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine (CID 81480683) is N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine.
What is the SMILES notation for N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine?
The canonical SMILES for N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine is CONC1CC(C)(C)Oc2c1ccc1ccccc21.
What is the InChIKey of N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine?
The InChIKey is LUBFCXRJTBMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)10-14(17-18-3)13-9-8-11-6-4-5-7-12(11)15(13)19-16/h4-9,14,17H,10H2,1-3H3.
What are the key properties of N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine?
N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine has a molecular weight of 257.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine is sourced from PubChem (CID 81480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).