(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine

C19H26FN — CID 105016628

IUPAC(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
SMILESCc1cc(F)cc(C(N)C23CC4CC(CC(C)(C4)C2)C3)c1
InChIInChI=1S/C19H26FN/c1-12-3-15(6-16(20)4-12)17(21)19-9-13-5-14(10-19)8-18(2,7-13)11-19/h3-4,6,13-14,17H,5,7-11,21H2,1-2H3
InChIKeyOTOSTPPAWPZURP-UHFFFAOYSA-N
MW287.42 g/mol
LogP4.74
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine

(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine (PubChem CID 105016628) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
PubChem CID105016628
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
SMILESCc1cc(F)cc(C(N)C23CC4CC(CC(C)(C4)C2)C3)c1
InChIInChI=1S/C19H26FN/c1-12-3-15(6-16(20)4-12)17(21)19-9-13-5-14(10-19)8-18(2,7-13)11-19/h3-4,6,13-14,17H,5,7-11,21H2,1-2H3
InChIKeyOTOSTPPAWPZURP-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dimethylphenyl)-(3-methyl-1-adamantyl)methanol
CID 114979753
(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
CID 113402734
3,4-dihydro-2H-pyran-5-yl-(3-methyl-1-adamantyl)methanamine
CID 105033580
(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine
CID 105006638
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanone
CID 115787476
(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105169976
1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881477
(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol
CID 79998019
1-[chloro-(4-methylphenyl)methyl]-3,5-dimethyladamantane
CID 79998908
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
1-adamantyl-(4-fluoro-2-methylphenyl)methanamine
CID 63416233
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine (CID 105016628) is (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine is Cc1cc(F)cc(C(N)C23CC4CC(CC(C)(C4)C2)C3)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine?
The InChIKey is OTOSTPPAWPZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN/c1-12-3-15(6-16(20)4-12)17(21)19-9-13-5-14(10-19)8-18(2,7-13)11-19/h3-4,6,13-14,17H,5,7-11,21H2,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine?
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine has a molecular weight of 287.42 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine is sourced from PubChem (CID 105016628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).