3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol

C10H14ClNO2 — CID 68604122

IUPAC3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol
SMILESCc1cc(Cl)c(OCCCO)cc1N
InChIInChI=1S/C10H14ClNO2/c1-7-5-8(11)10(6-9(7)12)14-4-2-3-13/h5-6,13H,2-4,12H2,1H3
InChIKeyQPBFVWFZHHSJPG-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.99
Rot. Bonds4

About 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol

3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol (PubChem CID 68604122) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol
PubChem CID68604122
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol
SMILESCc1cc(Cl)c(OCCCO)cc1N
InChIInChI=1S/C10H14ClNO2/c1-7-5-8(11)10(6-9(7)12)14-4-2-3-13/h5-6,13H,2-4,12H2,1H3
InChIKeyQPBFVWFZHHSJPG-UHFFFAOYSA-N
XLogP1.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol
CID 145226123
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
CID 143578451
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
4-butoxy-2-chloro-5-methylaniline
CID 115555294
5-amino-2-chloro-4-methylphenol
CID 21428510
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
4-(4-methoxybutoxy)-2,5-dimethylaniline
CID 104646777

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol?
The IUPAC name of 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol (CID 68604122) is 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol?
The canonical SMILES for 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol is Cc1cc(Cl)c(OCCCO)cc1N.
What is the InChIKey of 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol?
The InChIKey is QPBFVWFZHHSJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-5-8(11)10(6-9(7)12)14-4-2-3-13/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol?
3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 68604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).