3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol

C14H23NO3 — CID 114357961

IUPAC3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
SMILESCOc1ccc(OC(CO)C(N)CC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-10(2)8-13(15)14(9-16)18-12-6-4-11(17-3)5-7-12/h4-7,10,13-14,16H,8-9,15H2,1-3H3
InChIKeyBZPXVHLBLKAVGW-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.81
Rot. Bonds7

About 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol

3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol (PubChem CID 114357961) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
PubChem CID114357961
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
SMILESCOc1ccc(OC(CO)C(N)CC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-10(2)8-13(15)14(9-16)18-12-6-4-11(17-3)5-7-12/h4-7,10,13-14,16H,8-9,15H2,1-3H3
InChIKeyBZPXVHLBLKAVGW-UHFFFAOYSA-N
XLogP1.81
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
CID 114358070
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
CID 114358392
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol (CID 114357961) is 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol is COc1ccc(OC(CO)C(N)CC(C)C)cc1.
What is the InChIKey of 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol?
The InChIKey is BZPXVHLBLKAVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)8-13(15)14(9-16)18-12-6-4-11(17-3)5-7-12/h4-7,10,13-14,16H,8-9,15H2,1-3H3.
What are the key properties of 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol?
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol is sourced from PubChem (CID 114357961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).