(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine

C17H21NO2 — CID 43197136

IUPAC(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccccc2OCC)cc1
InChIInChI=1S/C17H21NO2/c1-3-19-14-11-9-13(10-12-14)17(18)15-7-5-6-8-16(15)20-4-2/h5-12,17H,3-4,18H2,1-2H3
InChIKeyYXIGNKKOPSEDNH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds6

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

(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine (PubChem CID 43197136) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
PubChem CID43197136
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccccc2OCC)cc1
InChIInChI=1S/C17H21NO2/c1-3-19-14-11-9-13(10-12-14)17(18)15-7-5-6-8-16(15)20-4-2/h5-12,17H,3-4,18H2,1-2H3
InChIKeyYXIGNKKOPSEDNH-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(2-iodophenyl)methanamine
CID 43197172
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
CID 115853675
[(2-ethoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105260722
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine (CID 43197136) is (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)c2ccccc2OCC)cc1.
What is the InChIKey of (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine?
The InChIKey is YXIGNKKOPSEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-19-14-11-9-13(10-12-14)17(18)15-7-5-6-8-16(15)20-4-2/h5-12,17H,3-4,18H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine?
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine is sourced from PubChem (CID 43197136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).