1-(3-tert-butyl-4-ethoxyphenyl)ethanamine

C14H23NO — CID 5123257

IUPAC1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)N)cc1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-6-16-13-8-7-11(10(2)15)9-12(13)14(3,4)5/h7-10H,6,15H2,1-5H3
InChIKeyRQEAEVYGHGZFSW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine

1-(3-tert-butyl-4-ethoxyphenyl)ethanamine (PubChem CID 5123257) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
PubChem CID5123257
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)N)cc1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-6-16-13-8-7-11(10(2)15)9-12(13)14(3,4)5/h7-10H,6,15H2,1-5H3
InChIKeyRQEAEVYGHGZFSW-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
3-(3-tert-butyl-4-ethoxyphenyl)butanethioamide
CID 83934342
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2-tert-butyl-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83934352
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 82263941
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3892662
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine (CID 5123257) is 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine is CCOc1ccc(C(C)N)cc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine?
The InChIKey is RQEAEVYGHGZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-16-13-8-7-11(10(2)15)9-12(13)14(3,4)5/h7-10H,6,15H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine?
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 5123257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).