1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

C14H16F3NO — CID 102649042

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(C1=CCCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO/c1-18-13(12-4-2-3-9-19-12)10-5-7-11(8-6-10)14(15,16)17/h4-8,13,18H,2-3,9H2,1H3
InChIKeyJMVRNRDQFCOPGF-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.66
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102649042) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID102649042
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(C1=CCCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO/c1-18-13(12-4-2-3-9-19-12)10-5-7-11(8-6-10)14(15,16)17/h4-8,13,18H,2-3,9H2,1H3
InChIKeyJMVRNRDQFCOPGF-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 102647397
1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382
1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648834
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine
CID 114030282
1-(2-chlorofuran-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 106693422
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907
3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 102648928
1-(2,3-dihydrofuran-5-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 102651572
[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 102649912
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (CID 102649042) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is CNC(C1=CCCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JMVRNRDQFCOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-18-13(12-4-2-3-9-19-12)10-5-7-11(8-6-10)14(15,16)17/h4-8,13,18H,2-3,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102649042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).