(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine

C19H25NO — CID 115853781

IUPAC(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H25NO/c1-5-21-17-13-9-7-11-15(17)18(20)14-10-6-8-12-16(14)19(2,3)4/h6-13,18H,5,20H2,1-4H3
InChIKeyIKBGXXVINDMJOA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.43
Rot. Bonds4

About (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine

(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine (PubChem CID 115853781) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
PubChem CID115853781
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H25NO/c1-5-21-17-13-9-7-11-15(17)18(20)14-10-6-8-12-16(14)19(2,3)4/h6-13,18H,5,20H2,1-4H3
InChIKeyIKBGXXVINDMJOA-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
CID 61332859
(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
CID 105144930
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine?
The IUPAC name of (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine (CID 115853781) is (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine?
The canonical SMILES for (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine?
The InChIKey is IKBGXXVINDMJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-21-17-13-9-7-11-15(17)18(20)14-10-6-8-12-16(14)19(2,3)4/h6-13,18H,5,20H2,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine?
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 115853781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).