7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C14H21NO2 — CID 114710884

IUPAC7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C(C)C)Oc2cc(OC)ccc21
InChIInChI=1S/C14H21NO2/c1-9(2)13-8-12(15-3)11-6-5-10(16-4)7-14(11)17-13/h5-7,9,12-13,15H,8H2,1-4H3
InChIKeyMFNNQVOPKYFZIR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds3

About 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710884) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710884
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C(C)C)Oc2cc(OC)ccc21
InChIInChI=1S/C14H21NO2/c1-9(2)13-8-12(15-3)11-6-5-10(16-4)7-14(11)17-13/h5-7,9,12-13,15H,8H2,1-4H3
InChIKeyMFNNQVOPKYFZIR-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712917
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710902
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710872
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713698
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
3,6-dimethoxy-9-propan-2-yl-9H-xanthene
CID 71740305

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114710884) is 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C(C)C)Oc2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MFNNQVOPKYFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)13-8-12(15-3)11-6-5-10(16-4)7-14(11)17-13/h5-7,9,12-13,15H,8H2,1-4H3.
What are the key properties of 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).