(2R)-1-(4-tert-butylphenoxy)butan-2-amine

C14H23NO — CID 94338350

IUPAC(2R)-1-(4-tert-butylphenoxy)butan-2-amine
SMILESCC[C@@H](N)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12(15)10-16-13-8-6-11(7-9-13)14(2,3)4/h6-9,12H,5,10,15H2,1-4H3/t12-/m1/s1
InChIKeyHDYQBZXUVQWKKP-GFCCVEGCSA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds4

About (2R)-1-(4-tert-butylphenoxy)butan-2-amine

(2R)-1-(4-tert-butylphenoxy)butan-2-amine (PubChem CID 94338350) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-1-(4-tert-butylphenoxy)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-tert-butylphenoxy)butan-2-amine
PubChem CID94338350
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-1-(4-tert-butylphenoxy)butan-2-amine
SMILESCC[C@@H](N)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12(15)10-16-13-8-6-11(7-9-13)14(2,3)4/h6-9,12H,5,10,15H2,1-4H3/t12-/m1/s1
InChIKeyHDYQBZXUVQWKKP-GFCCVEGCSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenoxy)butan-2-amine
CID 62038281
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-[2-(bromomethyl)butoxy]-4-tert-butylbenzene
CID 64995324
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
CID 107506531
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine
CID 82189771
3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112500956

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-tert-butylphenoxy)butan-2-amine?
The IUPAC name of (2R)-1-(4-tert-butylphenoxy)butan-2-amine (CID 94338350) is (2R)-1-(4-tert-butylphenoxy)butan-2-amine.
What is the SMILES notation for (2R)-1-(4-tert-butylphenoxy)butan-2-amine?
The canonical SMILES for (2R)-1-(4-tert-butylphenoxy)butan-2-amine is CC[C@@H](N)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-1-(4-tert-butylphenoxy)butan-2-amine?
The InChIKey is HDYQBZXUVQWKKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(15)10-16-13-8-6-11(7-9-13)14(2,3)4/h6-9,12H,5,10,15H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-tert-butylphenoxy)butan-2-amine?
(2R)-1-(4-tert-butylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-tert-butylphenoxy)butan-2-amine is sourced from PubChem (CID 94338350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).