8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine

C18H29NO — CID 64696430

IUPAC8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c1cc(C)cc2C(C)(C)C
InChIInChI=1S/C18H29NO/c1-8-19-15-11-18(6,7)20-16-13(15)9-12(2)10-14(16)17(3,4)5/h9-10,15,19H,8,11H2,1-7H3
InChIKeyJZUZGYLHDKZNNB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.50
Rot. Bonds2

About 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine

8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 64696430) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID64696430
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c1cc(C)cc2C(C)(C)C
InChIInChI=1S/C18H29NO/c1-8-19-15-11-18(6,7)20-16-13(15)9-12(2)10-14(16)17(3,4)5/h9-10,15,19H,8,11H2,1-7H3
InChIKeyJZUZGYLHDKZNNB-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

8-methoxy-2,2,6-trimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64696641
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 115402563
6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
CID 81482096
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
CID 64696229
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64699313
5-bromo-8-chloro-N-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64698713
7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63398773
6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462710
2,2-diethyl-6,8-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462506

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine (CID 64696430) is 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(C)Oc2c1cc(C)cc2C(C)(C)C.
What is the InChIKey of 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is JZUZGYLHDKZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-8-19-15-11-18(6,7)20-16-13(15)9-12(2)10-14(16)17(3,4)5/h9-10,15,19H,8,11H2,1-7H3.
What are the key properties of 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64696430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).