3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol

C15H25NO4 — CID 114358190

IUPAC3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol
SMILESCOc1cc(OC)cc(OC(CO)C(N)C(C)(C)C)c1
InChIInChI=1S/C15H25NO4/c1-15(2,3)14(16)13(9-17)20-12-7-10(18-4)6-11(8-12)19-5/h6-8,13-14,17H,9,16H2,1-5H3
InChIKeyJTGQRZDPGHODBW-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol

3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol (PubChem CID 114358190) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol
PubChem CID114358190
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol
SMILESCOc1cc(OC)cc(OC(CO)C(N)C(C)(C)C)c1
InChIInChI=1S/C15H25NO4/c1-15(2,3)14(16)13(9-17)20-12-7-10(18-4)6-11(8-12)19-5/h6-8,13-14,17H,9,16H2,1-5H3
InChIKeyJTGQRZDPGHODBW-UHFFFAOYSA-N
XLogP1.82
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methoxyphenoxy)-3-(methylamino)propan-2-ol
CID 3107873
3-[3-(Tert-butylamino)-2-hydroxypropoxy]phenol;hydrochloride
CID 12363912
1-((3-(2-Aminoethoxy)phenoxy)methyl)cyclohexanol
CID 25255603
3-((3-(2-Aminoethoxy)phenoxy)methyl)pentan-3-ol
CID 25255699
(r)-2-(3-(2-Ethylbutoxy)phenoxy)propan-1-amine
CID 25255802
(r)-2-(3-(Cyclopentylmethoxy)phenoxy)propan-1-amine
CID 25255896
(r)-2-(3-(2-Propylpentyloxy)phenoxy)propan-1-amine
CID 25255900
(s)-2-(3-(2-Ethylbutoxy)phenoxy)propan-1-amine
CID 25255904
(s)-2-(3-(2-Propylpentyloxy)phenoxy)propan-1-amine
CID 25255997
(s)-2-(3-(Cyclopentylmethoxy)phenoxy)propan-1-amine
CID 25255999
2-(3-(Isopentyloxy)phenoxy)ethanamine
CID 25256004
4-(3-(2-Aminoethoxy)phenoxy)butan-1-ol
CID 58027567

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol (CID 114358190) is 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol is COc1cc(OC)cc(OC(CO)C(N)C(C)(C)C)c1.
What is the InChIKey of 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol?
The InChIKey is JTGQRZDPGHODBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)14(16)13(9-17)20-12-7-10(18-4)6-11(8-12)19-5/h6-8,13-14,17H,9,16H2,1-5H3.
What are the key properties of 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol?
3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114358190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).