N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine

C20H25NO — CID 130361715

IUPACN-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine
SMILESCCc1ccc(N(C)c2ccc3c(c2)OCCC3(C)C)cc1
InChIInChI=1S/C20H25NO/c1-5-15-6-8-16(9-7-15)21(4)17-10-11-18-19(14-17)22-13-12-20(18,2)3/h6-11,14H,5,12-13H2,1-4H3
InChIKeyJDODZJULIMBWMF-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.08
Rot. Bonds3

About N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine

N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine (PubChem CID 130361715) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine
PubChem CID130361715
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine
SMILESCCc1ccc(N(C)c2ccc3c(c2)OCCC3(C)C)cc1
InChIInChI=1S/C20H25NO/c1-5-15-6-8-16(9-7-15)21(4)17-10-11-18-19(14-17)22-13-12-20(18,2)3/h6-11,14H,5,12-13H2,1-4H3
InChIKeyJDODZJULIMBWMF-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine?
The IUPAC name of N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine (CID 130361715) is N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine.
What is the SMILES notation for N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine?
The canonical SMILES for N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine is CCc1ccc(N(C)c2ccc3c(c2)OCCC3(C)C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine?
The InChIKey is JDODZJULIMBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-15-6-8-16(9-7-15)21(4)17-10-11-18-19(14-17)22-13-12-20(18,2)3/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine?
N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine has a molecular weight of 295.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N,4,4-trimethyl-2,3-dihydrochromen-7-amine is sourced from PubChem (CID 130361715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).