(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine

C17H21NO3 — CID 43121496

IUPAC(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-11-5-7-12(8-6-11)17(18)13-9-15(20-3)16(21-4)10-14(13)19-2/h5-10,17H,18H2,1-4H3
InChIKeyVXOXDBRFQISZFH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.07
Rot. Bonds5

About (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine

(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 43121496) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID43121496
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-11-5-7-12(8-6-11)17(18)13-9-15(20-3)16(21-4)10-14(13)19-2/h5-10,17H,18H2,1-4H3
InChIKeyVXOXDBRFQISZFH-UHFFFAOYSA-N
XLogP3.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
(2-methoxy-5-methylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 62504903
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(2,4-dimethoxyphenyl)-[4-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 70933146
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
1-[bromo-(4-methylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443811
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
CID 83056835

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine (CID 43121496) is (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)c2ccc(C)cc2)cc1OC.
What is the InChIKey of (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is VXOXDBRFQISZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-7-12(8-6-11)17(18)13-9-15(20-3)16(21-4)10-14(13)19-2/h5-10,17H,18H2,1-4H3.
What are the key properties of (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine?
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43121496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).