3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine

C18H21NO — CID 65411860

IUPAC3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)C2COc3ccccc3C2)c1
InChIInChI=1S/C18H21NO/c1-12-7-8-13(2)16(9-12)18(19)15-10-14-5-3-4-6-17(14)20-11-15/h3-9,15,18H,10-11,19H2,1-2H3
InChIKeySWMKMLYGPRDYLZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.55
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine

3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine (PubChem CID 65411860) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
PubChem CID65411860
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)C2COc3ccccc3C2)c1
InChIInChI=1S/C18H21NO/c1-12-7-8-13(2)16(9-12)18(19)15-10-14-5-3-4-6-17(14)20-11-15/h3-9,15,18H,10-11,19H2,1-2H3
InChIKeySWMKMLYGPRDYLZ-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
CID 65411469
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601
(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 79601515
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 65411666
(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 166045392
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409900
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881075
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine (CID 65411860) is 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)C2COc3ccccc3C2)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine?
The InChIKey is SWMKMLYGPRDYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-7-8-13(2)16(9-12)18(19)15-10-14-5-3-4-6-17(14)20-11-15/h3-9,15,18H,10-11,19H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine?
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 65411860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).