1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine

C15H25NO — CID 55095433

IUPAC1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
SMILESCCOc1cccc(C(N)CCC(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-17-13-8-6-7-12(11-13)14(16)9-10-15(2,3)4/h6-8,11,14H,5,9-10,16H2,1-4H3
InChIKeyJMKDMBZMOVFLMQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine

1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine (PubChem CID 55095433) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
PubChem CID55095433
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
SMILESCCOc1cccc(C(N)CCC(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-17-13-8-6-7-12(11-13)14(16)9-10-15(2,3)4/h6-8,11,14H,5,9-10,16H2,1-4H3
InChIKeyJMKDMBZMOVFLMQ-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
CID 83161762
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
1-(3-ethoxyphenyl)pent-3-yn-1-amine
CID 62309982
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
CID 63414147
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549147

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine (CID 55095433) is 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine is CCOc1cccc(C(N)CCC(C)(C)C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is JMKDMBZMOVFLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-17-13-8-6-7-12(11-13)14(16)9-10-15(2,3)4/h6-8,11,14H,5,9-10,16H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine?
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 55095433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).