1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H22ClNO5 — CID 106988428

IUPAC1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C14H22ClNO5/c1-18-3-4-20-8-11(17)9-21-14-12(15)5-10(7-16)6-13(14)19-2/h5-6,11,17H,3-4,7-9,16H2,1-2H3
InChIKeyASSGKGKWXVTUSH-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.21
Rot. Bonds10

About 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988428) has the molecular formula C14H22ClNO5 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988428
Molecular FormulaC14H22ClNO5
Molecular Weight319.79 g/mol
Exact Mass319.12
IUPAC Name1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C14H22ClNO5/c1-18-3-4-20-8-11(17)9-21-14-12(15)5-10(7-16)6-13(14)19-2/h5-6,11,17H,3-4,7-9,16H2,1-2H3
InChIKeyASSGKGKWXVTUSH-UHFFFAOYSA-N
XLogP1.21
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991077
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
3-chloro-4-(2-hydroxy-3-methoxypropoxy)-5-methoxybenzaldehyde
CID 63930082
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491498

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106988428) is 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1c(Cl)cc(CN)cc1OC.
What is the InChIKey of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ASSGKGKWXVTUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO5/c1-18-3-4-20-8-11(17)9-21-14-12(15)5-10(7-16)6-13(14)19-2/h5-6,11,17H,3-4,7-9,16H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 319.79 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).