(2S)-4-(3-tert-butylphenoxy)butan-2-amine

C14H23NO — CID 39245152

IUPAC(2S)-4-(3-tert-butylphenoxy)butan-2-amine
SMILESC[C@H](N)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(15)8-9-16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m0/s1
InChIKeyONKDEBJMDDBOTF-NSHDSACASA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds4

About (2S)-4-(3-tert-butylphenoxy)butan-2-amine

(2S)-4-(3-tert-butylphenoxy)butan-2-amine (PubChem CID 39245152) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-4-(3-tert-butylphenoxy)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(3-tert-butylphenoxy)butan-2-amine
PubChem CID39245152
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-4-(3-tert-butylphenoxy)butan-2-amine
SMILESC[C@H](N)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(15)8-9-16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m0/s1
InChIKeyONKDEBJMDDBOTF-NSHDSACASA-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

3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
4-(3-tert-butylphenoxy)-1-(4-fluorophenyl)butan-1-amine
CID 10313625
1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
CID 43351797
1-(3-tert-butylphenoxy)-4-methylpentan-3-one
CID 39351110
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-tert-butylphenoxy)butan-2-amine?
The IUPAC name of (2S)-4-(3-tert-butylphenoxy)butan-2-amine (CID 39245152) is (2S)-4-(3-tert-butylphenoxy)butan-2-amine.
What is the SMILES notation for (2S)-4-(3-tert-butylphenoxy)butan-2-amine?
The canonical SMILES for (2S)-4-(3-tert-butylphenoxy)butan-2-amine is C[C@H](N)CCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of (2S)-4-(3-tert-butylphenoxy)butan-2-amine?
The InChIKey is ONKDEBJMDDBOTF-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO/c1-11(15)8-9-16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-4-(3-tert-butylphenoxy)butan-2-amine?
(2S)-4-(3-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 (2S)-4-(3-tert-butylphenoxy)butan-2-amine is sourced from PubChem (CID 39245152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).