4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine

C18H21NO — CID 65403944

IUPAC4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESCc1ccc(C)c(CC2(N)CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-13-7-8-14(2)15(11-13)12-18(19)9-10-20-17-6-4-3-5-16(17)18/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyGQWWWGBKGIAELA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.48
Rot. Bonds2

About 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine

4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65403944) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65403944
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESCc1ccc(C)c(CC2(N)CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-13-7-8-14(2)15(11-13)12-18(19)9-10-20-17-6-4-3-5-16(17)18/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyGQWWWGBKGIAELA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65403950
4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65406283
4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419629
3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine
CID 65419425
4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65422015
4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65421588
4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
CID 114210547
[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408843
4,6-dimethyl-2,3-dihydrochromen-4-amine
CID 82194374
1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62160328
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine (CID 65403944) is 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine is Cc1ccc(C)c(CC2(N)CCOc3ccccc32)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is GQWWWGBKGIAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-8-14(2)15(11-13)12-18(19)9-10-20-17-6-4-3-5-16(17)18/h3-8,11H,9-10,12,19H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine?
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 267.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65403944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).