1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine

C19H26FN — CID 106881477

IUPAC1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C23CC4CC(CC(C4)C2)C3)c(F)c1
InChIInChI=1S/C19H26FN/c1-11-3-12(2)17(16(20)4-11)18(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15,18H,5-10,21H2,1-2H3
InChIKeyUHYRRSPGCDXAAQ-UHFFFAOYSA-N
MW287.42 g/mol
LogP4.66
Rot. Bonds2

About 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine

1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881477) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881477
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C23CC4CC(CC(C4)C2)C3)c(F)c1
InChIInChI=1S/C19H26FN/c1-11-3-12(2)17(16(20)4-11)18(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15,18H,5-10,21H2,1-2H3
InChIKeyUHYRRSPGCDXAAQ-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-(4-fluoro-2-methylphenyl)methanamine
CID 63416233
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881896
1-[chloro-(2,4-difluoro-5-methylphenyl)methyl]adamantane
CID 79724465
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883666
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
CID 105016628
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
1-[chloro-(2,4-dimethylphenyl)methyl]adamantane
CID 63430019
(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881477) is 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)C23CC4CC(CC(C4)C2)C3)c(F)c1.
What is the InChIKey of 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is UHYRRSPGCDXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN/c1-11-3-12(2)17(16(20)4-11)18(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15,18H,5-10,21H2,1-2H3.
What are the key properties of 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine?
1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 287.42 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).