1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol

C14H22ClNO2 — CID 112513727

IUPAC1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
SMILESCOc1cc(C)c(Cl)c(C)c1CCNCC(C)O
InChIInChI=1S/C14H22ClNO2/c1-9-7-13(18-4)12(11(3)14(9)15)5-6-16-8-10(2)17/h7,10,16-17H,5-6,8H2,1-4H3
InChIKeyGZYDTDMVPSZLTG-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol

1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol (PubChem CID 112513727) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
PubChem CID112513727
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
SMILESCOc1cc(C)c(Cl)c(C)c1CCNCC(C)O
InChIInChI=1S/C14H22ClNO2/c1-9-7-13(18-4)12(11(3)14(9)15)5-6-16-8-10(2)17/h7,10,16-17H,5-6,8H2,1-4H3
InChIKeyGZYDTDMVPSZLTG-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.48
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

N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
CID 82482793
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanethioamide
CID 83938122
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 110769484
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol (CID 112513727) is 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol is COc1cc(C)c(Cl)c(C)c1CCNCC(C)O.
What is the InChIKey of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol?
The InChIKey is GZYDTDMVPSZLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-9-7-13(18-4)12(11(3)14(9)15)5-6-16-8-10(2)17/h7,10,16-17H,5-6,8H2,1-4H3.
What are the key properties of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol?
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 112513727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).