4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

C17H29NO — CID 103025022

IUPAC4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCNC(Cc1c(C)cc(C)cc1C)CC(C)(C)OC
InChIInChI=1S/C17H29NO/c1-12-8-13(2)16(14(3)9-12)10-15(18-6)11-17(4,5)19-7/h8-9,15,18H,10-11H2,1-7H3
InChIKeyQXTWVCRZTUHYBX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds6

About 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (PubChem CID 103025022) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
PubChem CID103025022
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCNC(Cc1c(C)cc(C)cc1C)CC(C)(C)OC
InChIInChI=1S/C17H29NO/c1-12-8-13(2)16(14(3)9-12)10-15(18-6)11-17(4,5)19-7/h8-9,15,18H,10-11H2,1-7H3
InChIKeyQXTWVCRZTUHYBX-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65132056
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 79615967
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 116757856
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,6-trimethylphenyl)butanoic acid
CID 137332837
4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid
CID 82350962
2-methoxy-N,2-dimethylheptan-4-amine
CID 103024818
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
CID 103031280

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (CID 103025022) is 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is CNC(Cc1c(C)cc(C)cc1C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The InChIKey is QXTWVCRZTUHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-8-13(2)16(14(3)9-12)10-15(18-6)11-17(4,5)19-7/h8-9,15,18H,10-11H2,1-7H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is sourced from PubChem (CID 103025022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).