4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol

C12H19NO3 — CID 116861411

IUPAC4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(N)CCCO)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-15-9-5-6-10(12(8-9)16-2)11(13)4-3-7-14/h5-6,8,11,14H,3-4,7,13H2,1-2H3
InChIKeyCOADVFZQQGOPRA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.48
Rot. Bonds6

About 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol

4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol (PubChem CID 116861411) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
PubChem CID116861411
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(N)CCCO)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-15-9-5-6-10(12(8-9)16-2)11(13)4-3-7-14/h5-6,8,11,14H,3-4,7,13H2,1-2H3
InChIKeyCOADVFZQQGOPRA-UHFFFAOYSA-N
XLogP1.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol?
The IUPAC name of 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol (CID 116861411) is 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol.
What is the SMILES notation for 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol?
The canonical SMILES for 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol is COc1ccc(C(N)CCCO)c(OC)c1.
What is the InChIKey of 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol?
The InChIKey is COADVFZQQGOPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-9-5-6-10(12(8-9)16-2)11(13)4-3-7-14/h5-6,8,11,14H,3-4,7,13H2,1-2H3.
What are the key properties of 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol?
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol is sourced from PubChem (CID 116861411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).