2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline

C18H21NO2 — CID 23087080

IUPAC2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
SMILESCOc1ccc2c(c1)OC(C)(C)C(c1ccccc1N)C2
InChIInChI=1S/C18H21NO2/c1-18(2)15(14-6-4-5-7-16(14)19)10-12-8-9-13(20-3)11-17(12)21-18/h4-9,11,15H,10,19H2,1-3H3
InChIKeyGYPOYOXJABBIEB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.77
Rot. Bonds2

About 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline

2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline (PubChem CID 23087080) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline.

Molecular Properties

Compound Name2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
PubChem CID23087080
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
SMILESCOc1ccc2c(c1)OC(C)(C)C(c1ccccc1N)C2
InChIInChI=1S/C18H21NO2/c1-18(2)15(14-6-4-5-7-16(14)19)10-12-8-9-13(20-3)11-17(12)21-18/h4-9,11,15H,10,19H2,1-3H3
InChIKeyGYPOYOXJABBIEB-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide
CID 21257135
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 13222925
2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
CID 121014201
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfinyl)-4-methoxyaniline
CID 81206722
2-cyclopent-2-en-1-yl-4-methoxyaniline
CID 13003824
2-(2-cyclopropyl-2-methylcyclopropyl)aniline
CID 172722587
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
(3S,4R)-6-methoxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol;hydrochloride
CID 13223035
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
CID 16726534
4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
CID 57012204
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methoxybenzamide
CID 61111294

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline?
The IUPAC name of 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline (CID 23087080) is 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline.
What is the SMILES notation for 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline?
The canonical SMILES for 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline is COc1ccc2c(c1)OC(C)(C)C(c1ccccc1N)C2.
What is the InChIKey of 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline?
The InChIKey is GYPOYOXJABBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)15(14-6-4-5-7-16(14)19)10-12-8-9-13(20-3)11-17(12)21-18/h4-9,11,15H,10,19H2,1-3H3.
What are the key properties of 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline?
2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline has a molecular weight of 283.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline is sourced from PubChem (CID 23087080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).