2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine

C18H29NO — CID 82462475

IUPAC2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NCC(C)C)c2cc(C)ccc2O1
InChIInChI=1S/C18H29NO/c1-6-18(7-2)11-16(19-12-13(3)4)15-10-14(5)8-9-17(15)20-18/h8-10,13,16,19H,6-7,11-12H2,1-5H3
InChIKeyANOPDTSBLILPKC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.62
Rot. Bonds5

About 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine

2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 82462475) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID82462475
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NCC(C)C)c2cc(C)ccc2O1
InChIInChI=1S/C18H29NO/c1-6-18(7-2)11-16(19-12-13(3)4)15-10-14(5)8-9-17(15)20-18/h8-10,13,16,19H,6-7,11-12H2,1-5H3
InChIKeyANOPDTSBLILPKC-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-6,8-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462506
2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462522
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104950454
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 82462475) is 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine is CCC1(CC)CC(NCC(C)C)c2cc(C)ccc2O1.
What is the InChIKey of 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is ANOPDTSBLILPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-18(7-2)11-16(19-12-13(3)4)15-10-14(5)8-9-17(15)20-18/h8-10,13,16,19H,6-7,11-12H2,1-5H3.
What are the key properties of 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).