1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol

C14H23NO3 — CID 83928885

IUPAC1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-10(7-12(16)9-15)11-5-6-13(17-2)14(8-11)18-3/h5-6,8,10,12,16H,4,7,9,15H2,1-3H3
InChIKeyBEYQOTUVRCMEMJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.91
Rot. Bonds7

About 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol

1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol (PubChem CID 83928885) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
PubChem CID83928885
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-10(7-12(16)9-15)11-5-6-13(17-2)14(8-11)18-3/h5-6,8,10,12,16H,4,7,9,15H2,1-3H3
InChIKeyBEYQOTUVRCMEMJ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
CID 83920884
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
CID 83926083
4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107707

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol (CID 83928885) is 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol is CCC(CC(O)CN)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol?
The InChIKey is BEYQOTUVRCMEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-10(7-12(16)9-15)11-5-6-13(17-2)14(8-11)18-3/h5-6,8,10,12,16H,4,7,9,15H2,1-3H3.
What are the key properties of 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol?
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol is sourced from PubChem (CID 83928885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).