1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol

C12H20N2O2 — CID 112513189

IUPAC1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
SMILESCCNCCC(O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H20N2O2/c1-3-14-7-6-11(15)9-4-5-12(16-2)10(13)8-9/h4-5,8,11,14-15H,3,6-7,13H2,1-2H3
InChIKeyKIABJISMHYDSCL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.31
Rot. Bonds6

About 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol

1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol (PubChem CID 112513189) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
PubChem CID112513189
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
SMILESCCNCCC(O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H20N2O2/c1-3-14-7-6-11(15)9-4-5-12(16-2)10(13)8-9/h4-5,8,11,14-15H,3,6-7,13H2,1-2H3
InChIKeyKIABJISMHYDSCL-UHFFFAOYSA-N
XLogP1.31
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
CID 112513617
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
CID 82071253
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol (CID 112513189) is 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol is CCNCCC(O)c1ccc(OC)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol?
The InChIKey is KIABJISMHYDSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-14-7-6-11(15)9-4-5-12(16-2)10(13)8-9/h4-5,8,11,14-15H,3,6-7,13H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol?
1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol is sourced from PubChem (CID 112513189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).