N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine

C17H27NO — CID 64696229

IUPACN-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c(C)ccc(C(C)C)c21
InChIInChI=1S/C17H27NO/c1-7-18-14-10-17(5,6)19-16-12(4)8-9-13(11(2)3)15(14)16/h8-9,11,14,18H,7,10H2,1-6H3
InChIKeyXYZKAJUPSVRUDZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.33
Rot. Bonds3

About N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine

N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine (PubChem CID 64696229) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
PubChem CID64696229
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c(C)ccc(C(C)C)c21
InChIInChI=1S/C17H27NO/c1-7-18-14-10-17(5,6)19-16-12(4)8-9-13(11(2)3)15(14)16/h8-9,11,14,18H,7,10H2,1-6H3
InChIKeyXYZKAJUPSVRUDZ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 115402563
7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 54909810
5-bromo-8-chloro-N-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64698713
N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 61037728
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696430
6-methyl-9-propan-2-yl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512627
N',N'-diethyl-N-(2,2,7,8-tetramethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461834
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049218
6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82461928
7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine (CID 64696229) is N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(C)Oc2c(C)ccc(C(C)C)c21.
What is the InChIKey of N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine?
The InChIKey is XYZKAJUPSVRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-18-14-10-17(5,6)19-16-12(4)8-9-13(11(2)3)15(14)16/h8-9,11,14,18H,7,10H2,1-6H3.
What are the key properties of N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine?
N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64696229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).