1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride

C15H26ClNO — CID 170893780

IUPAC1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
SMILESCCOc1ccc(C(C)(C)C)cc1CC(C)N.Cl
InChIInChI=1S/C15H25NO.ClH/c1-6-17-14-8-7-13(15(3,4)5)10-12(14)9-11(2)16;/h7-8,10-11H,6,9,16H2,1-5H3;1H
InChIKeyZAFQGWZWVSDHEQ-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.69
Rot. Bonds4

About 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride

1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 170893780) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
PubChem CID170893780
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
SMILESCCOc1ccc(C(C)(C)C)cc1CC(C)N.Cl
InChIInChI=1S/C15H25NO.ClH/c1-6-17-14-8-7-13(15(3,4)5)10-12(14)9-11(2)16;/h7-8,10-11H,6,9,16H2,1-5H3;1H
InChIKeyZAFQGWZWVSDHEQ-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride (CID 170893780) is 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride is CCOc1ccc(C(C)(C)C)cc1CC(C)N.Cl.
What is the InChIKey of 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is ZAFQGWZWVSDHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-6-17-14-8-7-13(15(3,4)5)10-12(14)9-11(2)16;/h7-8,10-11H,6,9,16H2,1-5H3;1H.
What are the key properties of 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride?
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170893780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).