1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol

C10H16N2O2 — CID 130000790

IUPAC1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
SMILESCOc1cc(N)ccc1C(N)C(C)O
InChIInChI=1S/C10H16N2O2/c1-6(13)10(12)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,11-12H2,1-2H3
InChIKeyFQCCOHXPOLQIKC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.66
Rot. Bonds3

About 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol

1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol (PubChem CID 130000790) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
PubChem CID130000790
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
SMILESCOc1cc(N)ccc1C(N)C(C)O
InChIInChI=1S/C10H16N2O2/c1-6(13)10(12)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,11-12H2,1-2H3
InChIKeyFQCCOHXPOLQIKC-UHFFFAOYSA-N
XLogP0.66
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
CID 130665651
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
5-amino-2-[(1R)-1-amino-2-hydroxypropyl]benzonitrile
CID 130722452
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol (CID 130000790) is 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol is COc1cc(N)ccc1C(N)C(C)O.
What is the InChIKey of 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol?
The InChIKey is FQCCOHXPOLQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(13)10(12)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,11-12H2,1-2H3.
What are the key properties of 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol?
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 130000790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).