3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol

C13H22N2O2 — CID 83177620

IUPAC3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
SMILESCOc1ccc(C(CN)NC(C)CCO)cc1
InChIInChI=1S/C13H22N2O2/c1-10(7-8-16)15-13(9-14)11-3-5-12(17-2)6-4-11/h3-6,10,13,15-16H,7-9,14H2,1-2H3
InChIKeyUTPZCPHMMYKBPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds7

About 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol

3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol (PubChem CID 83177620) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
PubChem CID83177620
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
SMILESCOc1ccc(C(CN)NC(C)CCO)cc1
InChIInChI=1S/C13H22N2O2/c1-10(7-8-16)15-13(9-14)11-3-5-12(17-2)6-4-11/h3-6,10,13,15-16H,7-9,14H2,1-2H3
InChIKeyUTPZCPHMMYKBPL-UHFFFAOYSA-N
XLogP1.06
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176320
3-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]butan-1-ol
CID 83177263
3-[[2-amino-1-(2-bromo-5-methoxyphenyl)ethyl]amino]butan-1-ol
CID 114077715
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
3-[[2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]amino]butan-1-ol
CID 83176796
3-[[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176914
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol (CID 83177620) is 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol is COc1ccc(C(CN)NC(C)CCO)cc1.
What is the InChIKey of 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
The InChIKey is UTPZCPHMMYKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(7-8-16)15-13(9-14)11-3-5-12(17-2)6-4-11/h3-6,10,13,15-16H,7-9,14H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 83177620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).