N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline

C18H18FNO — CID 56925770

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline
SMILESCC1(C)C=Cc2cc(CNc3ccccc3F)ccc2O1
InChIInChI=1S/C18H18FNO/c1-18(2)10-9-14-11-13(7-8-17(14)21-18)12-20-16-6-4-3-5-15(16)19/h3-11,20H,12H2,1-2H3
InChIKeyYLNKHUMMXKWOLL-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.62
Rot. Bonds3

About N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline

N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline (PubChem CID 56925770) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline
PubChem CID56925770
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline
SMILESCC1(C)C=Cc2cc(CNc3ccccc3F)ccc2O1
InChIInChI=1S/C18H18FNO/c1-18(2)10-9-14-11-13(7-8-17(14)21-18)12-20-16-6-4-3-5-15(16)19/h3-11,20H,12H2,1-2H3
InChIKeyYLNKHUMMXKWOLL-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline (CID 56925770) is N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline is CC1(C)C=Cc2cc(CNc3ccccc3F)ccc2O1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline?
The InChIKey is YLNKHUMMXKWOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-18(2)10-9-14-11-13(7-8-17(14)21-18)12-20-16-6-4-3-5-15(16)19/h3-11,20H,12H2,1-2H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline?
N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline has a molecular weight of 283.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 56925770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).