1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol

C13H20ClNO2 — CID 111824359

IUPAC1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CN(C)CC(C)(C)O)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,16)9-15(3)8-10-5-6-11(17-4)7-12(10)14/h5-7,16H,8-9H2,1-4H3
InChIKeyQJBKBWSTMHTTPO-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.55
Rot. Bonds5

About 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol

1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111824359) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID111824359
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CN(C)CC(C)(C)O)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,16)9-15(3)8-10-5-6-11(17-4)7-12(10)14/h5-7,16H,8-9H2,1-4H3
InChIKeyQJBKBWSTMHTTPO-UHFFFAOYSA-N
XLogP2.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-chloro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228107
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131113
(2-chloro-4-methoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170143
3-[(2-chloro-4-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122219
1-[[2-(4-hydroxybut-1-ynyl)-5-methoxyphenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379703
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 115244233
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol (CID 111824359) is 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol is COc1ccc(CN(C)CC(C)(C)O)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is QJBKBWSTMHTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-13(2,16)9-15(3)8-10-5-6-11(17-4)7-12(10)14/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111824359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).