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

C14H21NO — CID 18983567

IUPAC2,2,4,4,7-pentamethyl-3H-chromen-6-amine
SMILESCc1cc2c(cc1N)C(C)(C)CC(C)(C)O2
InChIInChI=1S/C14H21NO/c1-9-6-12-10(7-11(9)15)13(2,3)8-14(4,5)16-12/h6-7H,8,15H2,1-5H3
InChIKeyITLFGQUUTXGMEP-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.42
Rot. Bonds

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

2,2,4,4,7-pentamethyl-3H-chromen-6-amine (PubChem CID 18983567) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2,4,4,7-pentamethyl-3H-chromen-6-amine.

Molecular Properties

Compound Name2,2,4,4,7-pentamethyl-3H-chromen-6-amine
PubChem CID18983567
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2,4,4,7-pentamethyl-3H-chromen-6-amine
SMILESCc1cc2c(cc1N)C(C)(C)CC(C)(C)O2
InChIInChI=1S/C14H21NO/c1-9-6-12-10(7-11(9)15)13(2,3)8-14(4,5)16-12/h6-7H,8,15H2,1-5H3
InChIKeyITLFGQUUTXGMEP-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 2,2,4,4,7-pentamethyl-3H-chromen-6-amine?
The IUPAC name of 2,2,4,4,7-pentamethyl-3H-chromen-6-amine (CID 18983567) is 2,2,4,4,7-pentamethyl-3H-chromen-6-amine.
What is the SMILES notation for 2,2,4,4,7-pentamethyl-3H-chromen-6-amine?
The canonical SMILES for 2,2,4,4,7-pentamethyl-3H-chromen-6-amine is Cc1cc2c(cc1N)C(C)(C)CC(C)(C)O2.
What is the InChIKey of 2,2,4,4,7-pentamethyl-3H-chromen-6-amine?
The InChIKey is ITLFGQUUTXGMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-6-12-10(7-11(9)15)13(2,3)8-14(4,5)16-12/h6-7H,8,15H2,1-5H3.
What are the key properties of 2,2,4,4,7-pentamethyl-3H-chromen-6-amine?
2,2,4,4,7-pentamethyl-3H-chromen-6-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 2,2,4,4,7-pentamethyl-3H-chromen-6-amine is sourced from PubChem (CID 18983567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).