3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol

C14H24N2O4 — CID 65376786

IUPAC3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
SMILESCOc1cc(C(CN)NCCCO)cc(OC)c1OC
InChIInChI=1S/C14H24N2O4/c1-18-12-7-10(8-13(19-2)14(12)20-3)11(9-15)16-5-4-6-17/h7-8,11,16-17H,4-6,9,15H2,1-3H3
InChIKeyAYPSXYUSQRZPRZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.68
Rot. Bonds9

About 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol (PubChem CID 65376786) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
PubChem CID65376786
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
SMILESCOc1cc(C(CN)NCCCO)cc(OC)c1OC
InChIInChI=1S/C14H24N2O4/c1-18-12-7-10(8-13(19-2)14(12)20-3)11(9-15)16-5-4-6-17/h7-8,11,16-17H,4-6,9,15H2,1-3H3
InChIKeyAYPSXYUSQRZPRZ-UHFFFAOYSA-N
XLogP0.68
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]butan-1-ol
CID 106841280
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030744
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
CID 65378448
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331209
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol (CID 65376786) is 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol is COc1cc(C(CN)NCCCO)cc(OC)c1OC.
What is the InChIKey of 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol?
The InChIKey is AYPSXYUSQRZPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-18-12-7-10(8-13(19-2)14(12)20-3)11(9-15)16-5-4-6-17/h7-8,11,16-17H,4-6,9,15H2,1-3H3.
What are the key properties of 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65376786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).