(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine

C16H17F2NO2 — CID 43626695

IUPAC(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-9-4-14(20-2)15(21-3)8-13(9)16(19)10-5-11(17)7-12(18)6-10/h4-8,16H,19H2,1-3H3
InChIKeyUVVRZZODRBPVHI-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.34
Rot. Bonds4

About (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine

(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine (PubChem CID 43626695) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
PubChem CID43626695
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-9-4-14(20-2)15(21-3)8-13(9)16(19)10-5-11(17)7-12(18)6-10/h4-8,16H,19H2,1-3H3
InChIKeyUVVRZZODRBPVHI-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
1-[bromo-(3-bromo-5-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443346
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine (CID 43626695) is (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(F)cc(F)c2)cc1OC.
What is the InChIKey of (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The InChIKey is UVVRZZODRBPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-9-4-14(20-2)15(21-3)8-13(9)16(19)10-5-11(17)7-12(18)6-10/h4-8,16H,19H2,1-3H3.
What are the key properties of (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 43626695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).