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

C17H27NO — CID 82090619

IUPAC2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine
SMILESCC1(C)CC(CCN)c2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C17H27NO/c1-16(2,3)13-6-7-15-14(10-13)12(8-9-18)11-17(4,5)19-15/h6-7,10,12H,8-9,11,18H2,1-5H3
InChIKeyDZWACHQFCXCTJK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds2

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

2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine (PubChem CID 82090619) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine
PubChem CID82090619
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine
SMILESCC1(C)CC(CCN)c2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C17H27NO/c1-16(2,3)13-6-7-15-14(10-13)12(8-9-18)11-17(4,5)19-15/h6-7,10,12H,8-9,11,18H2,1-5H3
InChIKeyDZWACHQFCXCTJK-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696862
2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine
CID 82086635
2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
CID 84637960
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
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-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 59941103
(2,2-dimethyl-3,4-dihydrochromen-4-yl)methanethiol
CID 166881914
tert-butyl N-[(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)methyl]carbamate
CID 118996723
7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 24804627

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine?
The IUPAC name of 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine (CID 82090619) is 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine.
What is the SMILES notation for 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine?
The canonical SMILES for 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine is CC1(C)CC(CCN)c2cc(C(C)(C)C)ccc2O1.
What is the InChIKey of 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine?
The InChIKey is DZWACHQFCXCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)13-6-7-15-14(10-13)12(8-9-18)11-17(4,5)19-15/h6-7,10,12H,8-9,11,18H2,1-5H3.
What are the key properties of 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine?
2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine is sourced from PubChem (CID 82090619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).