3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol

C11H16ClNO2 — CID 115216842

IUPAC3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CNCCCO)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-15-10-4-3-9(11(12)7-10)8-13-5-2-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyRZNUAAGYBLKPCP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.82
Rot. Bonds6

About 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol

3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol (PubChem CID 115216842) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
PubChem CID115216842
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CNCCCO)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-15-10-4-3-9(11(12)7-10)8-13-5-2-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyRZNUAAGYBLKPCP-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
3-[(2-chloro-4-methoxyphenyl)methylsulfonyl]propan-1-ol
CID 111969329
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol (CID 115216842) is 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol is COc1ccc(CNCCCO)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol?
The InChIKey is RZNUAAGYBLKPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-15-10-4-3-9(11(12)7-10)8-13-5-2-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3.
What are the key properties of 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol?
3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 115216842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).