N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine

C15H25NO — CID 65308504

IUPACN-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-5-16-12-15(2,3)11-10-13-6-8-14(17-4)9-7-13/h6-9,16H,5,10-12H2,1-4H3
InChIKeyNWXJQZOYWDYTDD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine

N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 65308504) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
PubChem CID65308504
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-5-16-12-15(2,3)11-10-13-6-8-14(17-4)9-7-13/h6-9,16H,5,10-12H2,1-4H3
InChIKeyNWXJQZOYWDYTDD-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 106140377
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpentan-1-amine
CID 106141104
3-(ethylamino)-5-(4-methoxyphenyl)-3-methylpentan-1-ol
CID 65235107
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65309028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine (CID 65308504) is N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is NWXJQZOYWDYTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-12-15(2,3)11-10-13-6-8-14(17-4)9-7-13/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine?
N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65308504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).