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

C12H18ClNO2 — CID 112513366

IUPAC1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(CCNCC(C)O)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-9(15)8-14-6-5-10-3-4-11(16-2)7-12(10)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyFVGWFMKEGNKHGJ-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.86
Rot. Bonds6

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

1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 112513366) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID112513366
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(CCNCC(C)O)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-9(15)8-14-6-5-10-3-4-11(16-2)7-12(10)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyFVGWFMKEGNKHGJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.86
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

1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
2-[[2-(2-chloro-4-methoxyphenyl)ethylamino]methyl]butanenitrile
CID 115254045
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304123
3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
CID 115216842
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
1-[(2-chloro-4-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 22409128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol (CID 112513366) is 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol is COc1ccc(CCNCC(C)O)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is FVGWFMKEGNKHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(15)8-14-6-5-10-3-4-11(16-2)7-12(10)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol?
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 112513366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).