N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine

C14H23NO — CID 117044002

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
SMILESCOc1cc(C)c(CN(C)C(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-10(2)15(5)9-13-7-12(4)14(16-6)8-11(13)3/h7-8,10H,9H2,1-6H3
InChIKeyFGTAWFQPAPXNOA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds4

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine (PubChem CID 117044002) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
PubChem CID117044002
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
SMILESCOc1cc(C)c(CN(C)C(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-10(2)15(5)9-13-7-12(4)14(16-6)8-11(13)3/h7-8,10H,9H2,1-6H3
InChIKeyFGTAWFQPAPXNOA-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040350
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115219485
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194766
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 112513281
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
CID 115138216
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137696
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine (CID 117044002) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine is COc1cc(C)c(CN(C)C(C)C)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is FGTAWFQPAPXNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)15(5)9-13-7-12(4)14(16-6)8-11(13)3/h7-8,10H,9H2,1-6H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 117044002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).