(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine

C18H23NO — CID 43197723

IUPAC(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCOc1cccc(C(N)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H23NO/c1-11-9-12(2)14(4)17(13(11)3)18(19)15-7-6-8-16(10-15)20-5/h6-10,18H,19H2,1-5H3
InChIKeyCSQMGRKIORNPQT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds3

About (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine

(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 43197723) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID43197723
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCOc1cccc(C(N)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H23NO/c1-11-9-12(2)14(4)17(13(11)3)18(19)15-7-6-8-16(10-15)20-5/h6-10,18H,19H2,1-5H3
InChIKeyCSQMGRKIORNPQT-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43107406
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
CID 43825081
(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
CID 114028288
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 43118068

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 43197723) is (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine is COc1cccc(C(N)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is CSQMGRKIORNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-11-9-12(2)14(4)17(13(11)3)18(19)15-7-6-8-16(10-15)20-5/h6-10,18H,19H2,1-5H3.
What are the key properties of (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 43197723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).