1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

C18H19F2N — CID 82803625

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1c(F)ccc(C)c1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19F2N/c1-12-8-9-14(19)15(16(12)20)17(21-2)18(10-11-18)13-6-4-3-5-7-13/h3-9,17,21H,10-11H2,1-2H3
InChIKeyRAFHFDSNAUTRMR-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.27
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (PubChem CID 82803625) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
PubChem CID82803625
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1c(F)ccc(C)c1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19F2N/c1-12-8-9-14(19)15(16(12)20)17(21-2)18(10-11-18)13-6-4-3-5-7-13/h3-9,17,21H,10-11H2,1-2H3
InChIKeyRAFHFDSNAUTRMR-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79747261
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
[(2,6-difluorophenyl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217060
1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 55129402
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82791632
4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746419
1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine
CID 63417710
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-(2-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63078449

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (CID 82803625) is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is CNC(c1c(F)ccc(C)c1F)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is RAFHFDSNAUTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12-8-9-14(19)15(16(12)20)17(21-2)18(10-11-18)13-6-4-3-5-7-13/h3-9,17,21H,10-11H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 287.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 82803625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).