(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine

C17H21NO — CID 43197133

IUPAC(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-4-19-15-8-6-14(7-9-15)17(18)16-10-5-12(2)11-13(16)3/h5-11,17H,4,18H2,1-3H3
InChIKeyXNZOVSDPYTUZAX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.75
Rot. Bonds4

About (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine

(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine (PubChem CID 43197133) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
PubChem CID43197133
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-4-19-15-8-6-14(7-9-15)17(18)16-10-5-12(2)11-13(16)3/h5-11,17H,4,18H2,1-3H3
InChIKeyXNZOVSDPYTUZAX-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine (CID 43197133) is (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)c2ccc(C)cc2C)cc1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine?
The InChIKey is XNZOVSDPYTUZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-19-15-8-6-14(7-9-15)17(18)16-10-5-12(2)11-13(16)3/h5-11,17H,4,18H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine?
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine is sourced from PubChem (CID 43197133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).