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

C13H20ClNO2 — CID 115133466

IUPAC2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(CN(C)C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,9-16)15(3)8-10-5-6-11(17-4)7-12(10)14/h5-7,16H,8-9H2,1-4H3
InChIKeyMDPUBMGWCMXNLV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.55
Rot. Bonds5

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

2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115133466) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115133466
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(CN(C)C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,9-16)15(3)8-10-5-6-11(17-4)7-12(10)14/h5-7,16H,8-9H2,1-4H3
InChIKeyMDPUBMGWCMXNLV-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-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 111824359
[(2-chloro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228107
3-[(2-chloro-4-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122219
(2-chloro-4-methoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170143
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133504
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131113
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115133466) is 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is COc1ccc(CN(C)C(C)(C)CO)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is MDPUBMGWCMXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-13(2,9-16)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 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-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 2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).