4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol

C15H25NO2 — CID 66002453

IUPAC4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)CCNC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)16-11-10-15(4,17)12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3
InChIKeyVWTZHYGWKAOAPP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds5

About 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol

4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol (PubChem CID 66002453) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
PubChem CID66002453
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)CCNC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)16-11-10-15(4,17)12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3
InChIKeyVWTZHYGWKAOAPP-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
4-(tert-butylamino)-2-(2-methylquinolin-6-yl)butan-2-ol
CID 81228162
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
CID 114191696
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
4-[2-hydroxy-4-(4-methoxyphenyl)butan-2-yl]benzonitrile
CID 115481604
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol (CID 66002453) is 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol is COc1ccc(C(C)(O)CCNC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol?
The InChIKey is VWTZHYGWKAOAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)16-11-10-15(4,17)12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol?
4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 66002453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).