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

C14H24N2O3 — CID 83176320

IUPAC3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
SMILESCOc1ccc(C(CN)NC(C)CCO)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-10(6-7-17)16-13(9-15)12-5-4-11(18-2)8-14(12)19-3/h4-5,8,10,13,16-17H,6-7,9,15H2,1-3H3
InChIKeyMNGKITKSFCGPPR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds8

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

3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol (PubChem CID 83176320) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
PubChem CID83176320
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
SMILESCOc1ccc(C(CN)NC(C)CCO)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-10(6-7-17)16-13(9-15)12-5-4-11(18-2)8-14(12)19-3/h4-5,8,10,13,16-17H,6-7,9,15H2,1-3H3
InChIKeyMNGKITKSFCGPPR-UHFFFAOYSA-N
XLogP1.06
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol with MolForge

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Related Compounds

3-[[2-amino-1-(2-bromo-5-methoxyphenyl)ethyl]amino]butan-1-ol
CID 114077715
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 83177620
3-[[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176914
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
CID 24688569
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol (CID 83176320) is 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol is COc1ccc(C(CN)NC(C)CCO)c(OC)c1.
What is the InChIKey of 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol?
The InChIKey is MNGKITKSFCGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(6-7-17)16-13(9-15)12-5-4-11(18-2)8-14(12)19-3/h4-5,8,10,13,16-17H,6-7,9,15H2,1-3H3.
What are the key properties of 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol?
3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 83176320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).