2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine

C16H25NO — CID 82086635

IUPAC2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)C(CCN)CC(C)(C)O2
InChIInChI=1S/C16H25NO/c1-11(2)12-5-6-15-14(9-12)13(7-8-17)10-16(3,4)18-15/h5-6,9,11,13H,7-8,10,17H2,1-4H3
InChIKeyPBXYFSIVYKZRIO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.80
Rot. Bonds3

About 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine

2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine (PubChem CID 82086635) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine
PubChem CID82086635
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)C(CCN)CC(C)(C)O2
InChIInChI=1S/C16H25NO/c1-11(2)12-5-6-15-14(9-12)13(7-8-17)10-16(3,4)18-15/h5-6,9,11,13H,7-8,10,17H2,1-4H3
InChIKeyPBXYFSIVYKZRIO-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine 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

2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine
CID 82090619
2-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 82076845
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142990
2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82089985
(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
CID 163222504
2,4-dimethoxy-2-methyl-6-propan-2-yl-3,4-dihydrochromene
CID 10729365
N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174719
2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172
2-(2-aminoethyl)-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231668
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine
CID 70456029

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine?
The IUPAC name of 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine (CID 82086635) is 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine?
The canonical SMILES for 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine is CC(C)c1ccc2c(c1)C(CCN)CC(C)(C)O2.
What is the InChIKey of 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine?
The InChIKey is PBXYFSIVYKZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)12-5-6-15-14(9-12)13(7-8-17)10-16(3,4)18-15/h5-6,9,11,13H,7-8,10,17H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine?
2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine is sourced from PubChem (CID 82086635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).