2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine

C16H27NO — CID 79299162

IUPAC2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(C(C)C)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-6-17-16(12(3)4)13(5)14-8-10-15(11-9-14)18-7-2/h8-13,16-17H,6-7H2,1-5H3
InChIKeyDGLZCOMTNPTERL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.82
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine

2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine (PubChem CID 79299162) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
PubChem CID79299162
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(C(C)C)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-6-17-16(12(3)4)13(5)14-8-10-15(11-9-14)18-7-2/h8-13,16-17H,6-7H2,1-5H3
InChIKeyDGLZCOMTNPTERL-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
CID 83051116
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
CID 79298179
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
2-(4-ethoxyphenyl)propanedial
CID 3698706
2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
CID 82314724

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine (CID 79299162) is 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine is CCNC(C(C)C)C(C)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
The InChIKey is DGLZCOMTNPTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17-16(12(3)4)13(5)14-8-10-15(11-9-14)18-7-2/h8-13,16-17H,6-7H2,1-5H3.
What are the key properties of 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine is sourced from PubChem (CID 79299162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).