2-(4-ethoxyphenyl)-N-ethylhexan-3-amine

C16H27NO — CID 83051116

IUPAC2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
SMILESCCCC(NCC)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-5-8-16(17-6-2)13(4)14-9-11-15(12-10-14)18-7-3/h9-13,16-17H,5-8H2,1-4H3
InChIKeyYWEALCQLJJBEGT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine

2-(4-ethoxyphenyl)-N-ethylhexan-3-amine (PubChem CID 83051116) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
PubChem CID83051116
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
SMILESCCCC(NCC)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-5-8-16(17-6-2)13(4)14-9-11-15(12-10-14)18-7-3/h9-13,16-17H,5-8H2,1-4H3
InChIKeyYWEALCQLJJBEGT-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
CID 83051217
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine (CID 83051116) is 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine is CCCC(NCC)C(C)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine?
The InChIKey is YWEALCQLJJBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-8-16(17-6-2)13(4)14-9-11-15(12-10-14)18-7-3/h9-13,16-17H,5-8H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine?
2-(4-ethoxyphenyl)-N-ethylhexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-ethylhexan-3-amine is sourced from PubChem (CID 83051116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).