1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine

C18H31NO — CID 83056700

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H31NO/c1-12-9-15(10-13(2)17(12)20-8)16(19-7)11-14(3)18(4,5)6/h9-10,14,16,19H,11H2,1-8H3
InChIKeyXPVNQNGDBUWIMF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.64
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine

1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 83056700) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID83056700
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H31NO/c1-12-9-15(10-13(2)17(12)20-8)16(19-7)11-14(3)18(4,5)6/h9-10,14,16,19H,11H2,1-8H3
InChIKeyXPVNQNGDBUWIMF-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
3-(4-methoxy-3,5-dimethylphenyl)-3-(methylamino)propane-1-thiol
CID 116831472
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 83057067
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 115482145
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine (CID 83056700) is 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is XPVNQNGDBUWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-12-9-15(10-13(2)17(12)20-8)16(19-7)11-14(3)18(4,5)6/h9-10,14,16,19H,11H2,1-8H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 83056700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).