5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine

C19H33NO — CID 83943077

IUPAC5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine
SMILESCCOc1c(C(C)CCC(C)N)cc(C)cc1C(C)(C)C
InChIInChI=1S/C19H33NO/c1-8-21-18-16(14(3)9-10-15(4)20)11-13(2)12-17(18)19(5,6)7/h11-12,14-15H,8-10,20H2,1-7H3
InChIKeyQMUJLLLEABAJQZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.92
Rot. Bonds6

About 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine

5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine (PubChem CID 83943077) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine
PubChem CID83943077
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine
SMILESCCOc1c(C(C)CCC(C)N)cc(C)cc1C(C)(C)C
InChIInChI=1S/C19H33NO/c1-8-21-18-16(14(3)9-10-15(4)20)11-13(2)12-17(18)19(5,6)7/h11-12,14-15H,8-10,20H2,1-7H3
InChIKeyQMUJLLLEABAJQZ-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-tert-butyl-2-ethoxy-5-methylphenyl)butane-1-thiol
CID 83943023
2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
CID 83943036
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
ethyl 3-tert-butyl-2-ethoxy-5-methylbenzoate
CID 82551645
1-(3-tert-butyl-2-ethoxy-5-methylphenyl)heptane-3,4-diol
CID 83943134
3-(3-tert-butyl-2-methoxy-5-methylphenyl)butanal
CID 117374437
6-(3-tert-butyl-2-ethoxy-5-methylphenyl)-2-methylhexan-3-one
CID 83943073
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
CID 142998907
1-(3-tert-butyl-2-ethoxy-5-methylphenyl)prop-2-en-1-one
CID 83959288
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
2-tert-butyl-6-[3-tert-butyl-4-(3-tert-butyl-2-ethoxy-5-methylphenyl)-2-hydroxy-5-methylphenyl]sulfanyl-3-(3-tert-butyl-2-ethoxy-5-methylphenyl)-4-methylphenol
CID 87580060

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine?
The IUPAC name of 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine (CID 83943077) is 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine.
What is the SMILES notation for 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine?
The canonical SMILES for 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine is CCOc1c(C(C)CCC(C)N)cc(C)cc1C(C)(C)C.
What is the InChIKey of 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine?
The InChIKey is QMUJLLLEABAJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-21-18-16(14(3)9-10-15(4)20)11-13(2)12-17(18)19(5,6)7/h11-12,14-15H,8-10,20H2,1-7H3.
What are the key properties of 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine?
5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine is sourced from PubChem (CID 83943077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).