N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine

C14H23NO2 — CID 98015186

IUPACN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
SMILESCOc1cc(C)c(CCNC(C)C)cc1OC
InChIInChI=1S/C14H23NO2/c1-10(2)15-7-6-12-9-14(17-5)13(16-4)8-11(12)3/h8-10,15H,6-7H2,1-5H3
InChIKeyYUFUUMXGJRSUTL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine

N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine (PubChem CID 98015186) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
PubChem CID98015186
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
SMILESCOc1cc(C)c(CCNC(C)C)cc1OC
InChIInChI=1S/C14H23NO2/c1-10(2)15-7-6-12-9-14(17-5)13(16-4)8-11(12)3/h8-10,15H,6-7H2,1-5H3
InChIKeyYUFUUMXGJRSUTL-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 112513281
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137696
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206306
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993
methyl 2-amino-4-(4,5-dimethoxy-2-methylphenyl)butanoate
CID 116851497

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine (CID 98015186) is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine is COc1cc(C)c(CCNC(C)C)cc1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine?
The InChIKey is YUFUUMXGJRSUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)15-7-6-12-9-14(17-5)13(16-4)8-11(12)3/h8-10,15H,6-7H2,1-5H3.
What are the key properties of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine?
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 98015186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).