3-(4-amino-2-methoxyphenoxy)propan-1-ol

C10H15NO3 — CID 21422985

IUPAC3-(4-amino-2-methoxyphenoxy)propan-1-ol
SMILESCOc1cc(N)ccc1OCCCO
InChIInChI=1S/C10H15NO3/c1-13-10-7-8(11)3-4-9(10)14-6-2-5-12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyUGEDQIIKGWNELY-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.04
Rot. Bonds5

About 3-(4-amino-2-methoxyphenoxy)propan-1-ol

3-(4-amino-2-methoxyphenoxy)propan-1-ol (PubChem CID 21422985) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenoxy)propan-1-ol
PubChem CID21422985
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(4-amino-2-methoxyphenoxy)propan-1-ol
SMILESCOc1cc(N)ccc1OCCCO
InChIInChI=1S/C10H15NO3/c1-13-10-7-8(11)3-4-9(10)14-6-2-5-12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyUGEDQIIKGWNELY-UHFFFAOYSA-N
XLogP1.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
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

4-(3-ethoxypropoxy)-3-methoxyaniline
CID 65176717
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
3-methoxy-4-(3-phenylsulfanylpropoxy)aniline
CID 3026891
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
4-(6-hydroxyhexoxy)-3-methoxybenzenecarbothioamide
CID 107703833
4-(5-cyclohexylpentoxy)-3-methoxyaniline
CID 27225
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669
3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline
CID 6366753
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
3-methoxy-4-phenylmethoxyaniline
CID 27226

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxyphenoxy)propan-1-ol?
The IUPAC name of 3-(4-amino-2-methoxyphenoxy)propan-1-ol (CID 21422985) is 3-(4-amino-2-methoxyphenoxy)propan-1-ol.
What is the SMILES notation for 3-(4-amino-2-methoxyphenoxy)propan-1-ol?
The canonical SMILES for 3-(4-amino-2-methoxyphenoxy)propan-1-ol is COc1cc(N)ccc1OCCCO.
What is the InChIKey of 3-(4-amino-2-methoxyphenoxy)propan-1-ol?
The InChIKey is UGEDQIIKGWNELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-13-10-7-8(11)3-4-9(10)14-6-2-5-12/h3-4,7,12H,2,5-6,11H2,1H3.
What are the key properties of 3-(4-amino-2-methoxyphenoxy)propan-1-ol?
3-(4-amino-2-methoxyphenoxy)propan-1-ol has a molecular weight of 197.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxyphenoxy)propan-1-ol is sourced from PubChem (CID 21422985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).