2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine

C19H23NO — CID 114709726

IUPAC2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(C)(CCc1ccccc1)O2
InChIInChI=1S/C19H23NO/c1-14-8-9-18-16(12-14)17(20)13-19(2,21-18)11-10-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13,20H2,1-2H3
InChIKeyHSPFKVYYUYDLIL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.17
Rot. Bonds3

About 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine

2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine (PubChem CID 114709726) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
PubChem CID114709726
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(C)(CCc1ccccc1)O2
InChIInChI=1S/C19H23NO/c1-14-8-9-18-16(12-14)17(20)13-19(2,21-18)11-10-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13,20H2,1-2H3
InChIKeyHSPFKVYYUYDLIL-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
CID 104950386
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
CID 114712083
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709077
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
2-benzyl-6-bromo-2-ethyl-3,4-dihydrochromen-4-amine
CID 114710150
(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
CID 104945315
(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104946445

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine (CID 114709726) is 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine is Cc1ccc2c(c1)C(N)CC(C)(CCc1ccccc1)O2.
What is the InChIKey of 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is HSPFKVYYUYDLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-9-18-16(12-14)17(20)13-19(2,21-18)11-10-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13,20H2,1-2H3.
What are the key properties of 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine?
2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114709726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).