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

C13H21NO2 — CID 95446206

IUPACN-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)c(OC)cc1C
InChIInChI=1S/C13H21NO2/c1-9(2)14-8-11-7-12(15-4)10(3)6-13(11)16-5/h6-7,9,14H,8H2,1-5H3
InChIKeyKOMPMTQLLSRQGJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds5

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

N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine (PubChem CID 95446206) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
PubChem CID95446206
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)c(OC)cc1C
InChIInChI=1S/C13H21NO2/c1-9(2)14-8-11-7-12(15-4)10(3)6-13(11)16-5/h6-7,9,14H,8H2,1-5H3
InChIKeyKOMPMTQLLSRQGJ-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxy-4-methylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513449
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
2-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanenitrile
CID 115130132
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methylamino]propanoic acid
CID 83194866
2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine (CID 95446206) is N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine is COc1cc(CNC(C)C)c(OC)cc1C.
What is the InChIKey of N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine?
The InChIKey is KOMPMTQLLSRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)14-8-11-7-12(15-4)10(3)6-13(11)16-5/h6-7,9,14H,8H2,1-5H3.
What are the key properties of N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine?
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 95446206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).