1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine

C15H25NO — CID 58442303

IUPAC1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
SMILESCOc1ccc(C(CC(C)(C)C)N(C)C)cc1
InChIInChI=1S/C15H25NO/c1-15(2,3)11-14(16(4)5)12-7-9-13(17-6)10-8-12/h7-10,14H,11H2,1-6H3
InChIKeyPYRHAAHDLYXMME-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine

1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine (PubChem CID 58442303) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
PubChem CID58442303
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
SMILESCOc1ccc(C(CC(C)(C)C)N(C)C)cc1
InChIInChI=1S/C15H25NO/c1-15(2,3)11-14(16(4)5)12-7-9-13(17-6)10-8-12/h7-10,14H,11H2,1-6H3
InChIKeyPYRHAAHDLYXMME-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
CID 7108155
1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199
N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 159053593
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 111710090
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium
CID 23419504

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine (CID 58442303) is 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine is COc1ccc(C(CC(C)(C)C)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine?
The InChIKey is PYRHAAHDLYXMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,3)11-14(16(4)5)12-7-9-13(17-6)10-8-12/h7-10,14H,11H2,1-6H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine?
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 58442303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).