2,2,4,4,6-pentamethyl-3H-chromen-7-amine

C14H21NO — CID 18983549

IUPAC2,2,4,4,6-pentamethyl-3H-chromen-7-amine
SMILESCc1cc2c(cc1N)OC(C)(C)CC2(C)C
InChIInChI=1S/C14H21NO/c1-9-6-10-12(7-11(9)15)16-14(4,5)8-13(10,2)3/h6-7H,8,15H2,1-5H3
InChIKeyMODSKOGUQJZSQV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.42
Rot. Bonds

About 2,2,4,4,6-pentamethyl-3H-chromen-7-amine

2,2,4,4,6-pentamethyl-3H-chromen-7-amine (PubChem CID 18983549) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2,4,4,6-pentamethyl-3H-chromen-7-amine.

Molecular Properties

Compound Name2,2,4,4,6-pentamethyl-3H-chromen-7-amine
PubChem CID18983549
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2,4,4,6-pentamethyl-3H-chromen-7-amine
SMILESCc1cc2c(cc1N)OC(C)(C)CC2(C)C
InChIInChI=1S/C14H21NO/c1-9-6-10-12(7-11(9)15)16-14(4,5)8-13(10,2)3/h6-7H,8,15H2,1-5H3
InChIKeyMODSKOGUQJZSQV-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6-pentamethyl-3H-chromen-7-amine?
The IUPAC name of 2,2,4,4,6-pentamethyl-3H-chromen-7-amine (CID 18983549) is 2,2,4,4,6-pentamethyl-3H-chromen-7-amine.
What is the SMILES notation for 2,2,4,4,6-pentamethyl-3H-chromen-7-amine?
The canonical SMILES for 2,2,4,4,6-pentamethyl-3H-chromen-7-amine is Cc1cc2c(cc1N)OC(C)(C)CC2(C)C.
What is the InChIKey of 2,2,4,4,6-pentamethyl-3H-chromen-7-amine?
The InChIKey is MODSKOGUQJZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-6-10-12(7-11(9)15)16-14(4,5)8-13(10,2)3/h6-7H,8,15H2,1-5H3.
What are the key properties of 2,2,4,4,6-pentamethyl-3H-chromen-7-amine?
2,2,4,4,6-pentamethyl-3H-chromen-7-amine has a molecular weight of 219.33 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6-pentamethyl-3H-chromen-7-amine is sourced from PubChem (CID 18983549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).