6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine

C17H26ClNO — CID 82461928

IUPAC6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCc1cc2c(c(C)c1Cl)C(NCC(C)C)CC(C)(C)O2
InChIInChI=1S/C17H26ClNO/c1-10(2)9-19-13-8-17(5,6)20-14-7-11(3)16(18)12(4)15(13)14/h7,10,13,19H,8-9H2,1-6H3
InChIKeyAQIRHUROYVXJJQ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.80
Rot. Bonds3

About 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine

6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 82461928) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID82461928
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCc1cc2c(c(C)c1Cl)C(NCC(C)C)CC(C)(C)O2
InChIInChI=1S/C17H26ClNO/c1-10(2)9-19-13-8-17(5,6)20-14-7-11(3)16(18)12(4)15(13)14/h7,10,13,19H,8-9H2,1-6H3
InChIKeyAQIRHUROYVXJJQ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462914
6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82462545
6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461710
2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462522
6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine
CID 141123356
N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
CID 64696229
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
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 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 82461928) is 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine is Cc1cc2c(c(C)c1Cl)C(NCC(C)C)CC(C)(C)O2.
What is the InChIKey of 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is AQIRHUROYVXJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-10(2)9-19-13-8-17(5,6)20-14-7-11(3)16(18)12(4)15(13)14/h7,10,13,19H,8-9H2,1-6H3.
What are the key properties of 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 295.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82461928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).