N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine

C14H23NO2 — CID 117044148

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
SMILESCOc1ccc(CCN(C)C(C)C)c(OC)c1
InChIInChI=1S/C14H23NO2/c1-11(2)15(3)9-8-12-6-7-13(16-4)10-14(12)17-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyPDUKILRDQCVCMQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine

N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine (PubChem CID 117044148) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
PubChem CID117044148
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
SMILESCOc1ccc(CCN(C)C(C)C)c(OC)c1
InChIInChI=1S/C14H23NO2/c1-11(2)15(3)9-8-12-6-7-13(16-4)10-14(12)17-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyPDUKILRDQCVCMQ-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166684
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-decyl-2,4-dimethoxybenzene
CID 524862
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
CID 142573770
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine (CID 117044148) is N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine is COc1ccc(CCN(C)C(C)C)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine?
The InChIKey is PDUKILRDQCVCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15(3)9-8-12-6-7-13(16-4)10-14(12)17-5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine?
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 117044148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).